data_2jy9_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 2jy9 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 tpt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.516 HD12 HD23 ' A' ' 15' ' ' LEU . 3.7 mp -117.24 123.94 72.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.951 0.405 . . . . 0.0 110.958 -175.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.21 95.38 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.801 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.545 HG13 HD13 ' A' ' 10' ' ' ILE . 35.1 mm -79.34 156.9 4.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.463 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.4 ' N ' HG22 ' A' ' 4' ' ' ILE . 40.5 m -86.17 164.08 17.44 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.349 178.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.07 71.2 0.37 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.039 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 m 75.72 -44.52 0.51 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 164.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.469 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 8.7 p -105.76 154.46 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 122.019 -0.426 . . . . 0.0 111.646 -171.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.4 m -135.21 156.35 49.13 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 171.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.545 HD13 HG13 ' A' ' 4' ' ' ILE . 1.4 mp -100.23 140.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.835 0.35 . . . . 0.0 110.424 -177.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.25 -175.07 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.815 -173.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -95.44 -55.41 3.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.803 -173.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -79.34 -14.6 58.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.274 0.559 . . . . 0.0 111.14 -173.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -83.15 9.8 9.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.86 -176.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.516 HD23 HD12 ' A' ' 2' ' ' ILE . 84.5 mt -78.01 150.53 33.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 111.923 -177.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -95.96 119.42 34.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.175 176.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.2 mm -128.03 120.56 53.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.012 0.434 . . . . 0.0 110.649 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.563 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -121.34 149.88 42.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.983 178.775 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.66 122.17 46.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.514 HD12 ' HB2' ' A' ' 38' ' ' HIS . 53.2 mt -96.61 121.23 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.311 0.577 . . . . 0.0 112.379 -173.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 115.036 -0.984 . . . . 0.0 108.387 168.506 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.633 0.254 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.7 mm -99.06 124.57 52.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.563 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 55.4 t-80 -112.1 121.78 45.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.02 -177.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 39' ' ' LEU . 2.0 pt? -132.32 148.31 52.43 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -133.35 140.34 47.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.17 0.51 . . . . 0.0 110.859 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.473 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 60.2 t80 -107.74 102.74 11.94 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.873 175.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.476 ' HA ' HG21 ' A' ' 69' ' ' VAL . 12.7 t0 -106.53 136.49 46.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.235 0.54 . . . . 0.0 111.466 -173.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.45 HG12 HD12 ' A' ' 48' ' ' LEU . 43.5 mt -67.83 -44.8 85.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.466 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 -66.27 -22.3 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.256 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.6 -13.39 59.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.2 m -128.92 -162.89 1.23 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -176.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.9 71.0 0.5 Allowed Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.466 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 85.2 mt -69.59 145.1 94.81 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -173.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 15.8 Cg_exo -68.79 168.55 19.89 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.338 2.692 . . . . 0.0 112.916 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 1.011 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -60.31 -48.01 83.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.201 -174.615 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -65.1 -41.4 94.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.987 0.423 . . . . 0.0 110.882 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.445 ' HE2' ' HE2' ' A' ' 41' ' ' PHE . 37.2 t80 -65.84 -47.44 74.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.152 -175.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 1.011 ' HE2' ' HA ' ' A' ' 50' ' ' GLU . 61.4 pttt -65.02 -34.22 77.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.7 0.286 . . . . 0.0 111.113 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -63.57 -41.2 98.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.61 0.243 . . . . 0.0 110.711 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.451 ' HD3' ' O ' ' A' ' 98' ' ' LEU . 3.3 mmp_? -59.08 -45.89 89.68 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.379 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.417 HD21 HD11 ' A' ' 70' ' ' ILE . 86.2 mt -62.83 -31.76 72.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.106 -174.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 57' ' ' LEU . 4.4 mm? -91.27 -13.51 32.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.651 -177.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.2 p -99.31 -34.34 10.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.752 0.311 . . . . 0.0 111.525 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.415 ' HB2' HD13 ' A' ' 98' ' ' LEU . . . -83.35 90.09 7.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.23 0.538 . . . . 0.0 111.246 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.6 m -69.3 102.16 1.67 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.992 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.31 150.48 51.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.384 175.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -64.17 -26.66 68.62 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.641 0.258 . . . . 0.0 111.681 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.16 -23.86 66.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.726 0.298 . . . . 0.0 111.43 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.473 HD12 HG13 ' A' ' 70' ' ' ILE . 35.8 mm -79.03 127.53 38.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.493 ' OG ' HD13 ' A' ' 71' ' ' ILE . 34.5 m -74.13 -54.47 7.72 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.766 -175.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t70 177.46 -48.62 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.688 0.618 . . . . 0.0 109.563 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -81.13 19.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.793 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.06 7.53 88.4 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.178 -177.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.476 HG21 ' HA ' ' A' ' 42' ' ' ASP . 6.7 p -89.41 142.95 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.473 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 4.0 mp -101.41 120.7 51.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.426 -176.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.493 HD13 ' OG ' ' A' ' 65' ' ' SER . 1.6 mp -112.06 123.55 67.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 0.0 109.943 177.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 45.0 mm -107.0 121.11 59.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.155 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -118.8 109.54 16.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.562 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.64 129.49 49.71 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.054 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -156.87 103.93 2.09 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.45 0.643 . . . . 0.0 110.533 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -124.12 -60.4 1.43 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.245 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -138.01 173.1 11.99 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.436 ' HB3' ' H ' ' A' ' 79' ' ' SER . 64.3 mtp180 -71.19 -164.01 0.1 Allowed 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.137 0.273 . . . . 0.0 110.84 174.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.436 ' H ' ' HB3' ' A' ' 78' ' ' ARG . 19.6 m 71.53 89.29 0.1 Allowed 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.79 0.681 . . . . 0.0 109.529 -173.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.96 -31.83 63.32 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.031 -177.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -51.08 -48.84 61.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.503 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.83 -38.65 64.47 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.979 -176.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -59.45 -45.01 92.8 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.0 mtm105 -65.57 -56.38 12.59 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.118 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -53.42 -45.78 69.53 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.0 -43.86 86.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.625 0.25 . . . . 0.0 111.021 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.64 87.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.269 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.523 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.4 mt -62.28 -51.89 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.786 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.82 -41.65 70.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 111.426 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.431 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 28.0 mmt180 -68.17 -46.06 71.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.744 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 4.1 pp -67.19 -38.39 85.28 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.775 -176.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.479 HG22 HG21 ' A' ' 2' ' ' ILE . 80.6 t -61.13 -44.39 98.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 120.92 0.391 . . . . 0.0 110.344 177.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.593 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -60.52 -48.52 81.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.518 177.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.2 -47.07 88.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 O-C-N 123.363 0.414 . . . . 0.0 110.995 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.3 mt -52.8 -49.44 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.578 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -62.95 -35.18 79.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.742 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 6.9 mm-40 -71.57 -39.03 70.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -177.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.451 ' O ' ' HD3' ' A' ' 55' ' ' ARG . 3.8 mm? -87.16 -23.64 24.75 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -178.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.9 m -76.77 -14.8 59.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.668 0.747 . . . . 0.0 109.195 172.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.082 172.722 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.45 -0.437 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.4 p -99.94 97.82 8.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.163 0.506 . . . . 0.0 110.886 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 29.9 m -131.5 6.05 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.769 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.655 ' HE3' HD23 ' A' ' 131' ' ' LEU . 6.5 tmtm? -94.89 107.61 19.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.045 -177.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -131.01 147.58 52.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.655 HD23 ' HE3' ' A' ' 129' ' ' LYS . 2.5 pp -148.54 165.35 31.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.869 0.366 . . . . 0.0 111.558 -175.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -142.68 -175.39 4.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.574 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 143.42 88.25 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.792 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -135.43 97.91 3.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.006 0.432 . . . . 0.0 110.364 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.6 p -137.32 134.82 47.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.049 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -96.78 112.24 24.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.174 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -141.46 90.23 9.03 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.681 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -91.09 124.86 0.93 Allowed 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 123.005 2.47 . . . . 0.0 112.948 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.67 96.17 6.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.721 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -101.08 141.7 33.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.921 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 141' ' ' LEU . 1.2 pt? -145.56 95.24 2.62 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.343 0.592 . . . . 0.0 109.947 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -109.54 176.43 5.08 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.888 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -133.46 138.82 46.35 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.993 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -141.52 120.74 13.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.861 0.362 . . . . 0.0 110.948 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.617 174.944 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.738 0.304 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.445 HD11 ' N ' ' A' ' 2' ' ' ILE . 4.2 mp -104.89 129.97 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.204 -178.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.82 117.33 29.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.379 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 23.0 mm -106.71 166.2 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -56.79 160.37 3.45 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -176.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.457 ' HG2' ' OH ' ' A' ' 52' ' ' TYR . 27.3 mmm180 66.97 -88.54 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.873 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.3 p -146.72 1.99 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.727 0.299 . . . . 0.0 111.117 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.401 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 55.8 t -78.65 122.88 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.839 0.352 . . . . 0.0 110.594 -172.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.0 m -123.03 149.87 43.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.084 0.468 . . . . 0.0 110.151 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.433 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 64.2 mt -115.91 129.62 71.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.533 ' HB2' ' HG3' ' A' ' 14' ' ' GLU . . . -60.47 148.38 37.8 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -62.13 -24.85 67.4 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.353 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -114.87 10.59 16.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.218 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.533 ' HG3' ' HB2' ' A' ' 11' ' ' ALA . 7.1 mt-10 -73.01 -23.76 60.66 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.9 mt -85.75 122.21 29.51 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.555 171.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -75.51 115.07 14.79 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.202 0.525 . . . . 0.0 111.361 -176.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.5 mm -86.5 118.55 33.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.084 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.84 150.24 43.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.003 -176.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.47 145.07 25.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.516 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.603 ' CG1' ' HB2' ' A' ' 38' ' ' HIS . 40.1 mt -97.05 126.73 49.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.859 0.362 . . . . 0.0 110.592 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.007 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.528 ' CB ' ' HB3' ' A' ' 75' ' ' GLN . . . . . . . . 0 N--CA 1.444 -0.745 0 CA-C-O 121.142 0.496 . . . . 0.0 111.392 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.7 mm -100.22 133.69 42.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.678 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.603 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 57.9 t-80 -124.25 121.83 36.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.043 0.449 . . . . 0.0 110.535 -178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -133.0 149.3 52.23 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.52 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 36.1 ptt180 -133.57 132.93 41.44 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.955 0.407 . . . . 0.0 111.126 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -113.03 118.4 34.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.123 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.431 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 9.7 t0 -105.65 134.38 48.87 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.635 174.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.1 mp -55.45 -43.08 70.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.741 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.431 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 56.4 mtt180 -64.28 -15.77 60.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.247 -177.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.53 -23.23 60.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.058 0.456 . . . . 0.0 110.461 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.2 t -122.38 -162.12 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.521 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.23 67.71 0.56 Allowed Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.9 mt -76.32 144.09 74.03 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.764 0.316 . . . . 0.0 111.665 -176.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -68.46 161.35 45.34 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.0 2.466 . . . . 0.0 112.037 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.494 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 70.8 mm-40 -62.23 -31.64 72.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.096 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -52.89 -51.0 62.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.516 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.457 ' OH ' ' HG2' ' A' ' 6' ' ' ARG . 85.9 m-85 -81.06 -34.41 32.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.636 -178.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.494 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 0.7 OUTLIER -57.03 -43.7 82.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.828 178.656 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.818 HE21 ' HA ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -70.91 -35.41 72.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.336 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.549 ' HD2' ' O ' ' A' ' 98' ' ' LEU . 29.2 mmt180 -60.99 -44.53 97.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.677 0.275 . . . . 0.0 111.471 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 52' ' ' TYR . 86.7 mt -69.15 -41.54 77.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.774 -176.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.9 mt -79.4 -16.43 56.22 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.5 p -90.86 -34.92 15.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.071 0.462 . . . . 0.0 111.719 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.17 99.05 6.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.241 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.2 m -57.33 120.63 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.238 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -140.6 152.06 45.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.63 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -81.45 -12.45 58.89 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 174.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.611 ' HB3' HG22 ' A' ' 70' ' ' ILE . 8.6 mp -59.47 -37.37 78.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.189 -1.369 . . . . 0.0 109.156 169.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.551 HD13 HG12 ' A' ' 70' ' ' ILE . 29.9 mm -78.8 124.28 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 174.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.452 ' OG ' HD11 ' A' ' 71' ' ' ILE . 16.8 m -97.16 -83.57 0.39 Allowed 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.54 -175.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 68' ' ' GLY . 29.3 t70 -141.08 -52.84 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.722 -178.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -74.64 14.27 0.51 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.246 -0.434 . . . . 0.0 112.07 -174.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 66' ' ' ASP . . . 72.82 26.13 72.11 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.372 -173.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.7 p -105.57 144.15 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.188 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.611 HG22 ' HB3' ' A' ' 63' ' ' LEU . 51.1 mt -99.64 118.13 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.626 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.452 HD11 ' OG ' ' A' ' 65' ' ' SER . 1.7 mp -96.3 122.62 47.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.942 0.401 . . . . 0.0 110.33 177.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.0 mm -108.34 122.75 63.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.872 177.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -120.25 116.84 26.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.369 -178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -135.98 142.1 44.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.998 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.528 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 18.2 pt20 -166.45 104.8 0.62 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.909 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -126.39 -68.66 0.8 Allowed 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.842 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -102.62 14.57 31.62 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -174.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.9 ttp85 69.04 -43.25 0.51 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.6 0.563 . . . . 0.0 112.139 -177.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.1 m -46.1 114.25 0.76 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.338 0.59 . . . . 0.0 111.634 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -39.71 78.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.734 -174.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.79 -54.82 42.75 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -175.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.48 -36.3 65.79 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.464 -174.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -63.68 -32.98 74.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.6 mtp-105 -64.98 -57.48 8.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.397 0.618 . . . . 0.0 110.663 173.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.74 -32.55 73.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.974 -173.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.531 ' O ' ' HG2' ' A' ' 90' ' ' ARG . . . -68.74 -43.14 76.52 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.215 -0.194 . . . . 0.0 110.531 175.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.81 -43.63 90.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.819 0.343 . . . . 0.0 110.589 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.65 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 77.5 mt -61.87 -48.72 87.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.463 177.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.12 77.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.224 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 86' ' ' ALA . 26.1 mmm180 -60.67 -42.52 97.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.905 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.5 pp -74.33 -36.47 63.68 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.248 -179.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.621 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 92.3 t -62.33 -41.71 92.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.225 176.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.99 85.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.932 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 83.2 t -60.42 -44.84 97.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.309 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 64.1 mt -53.57 -47.82 59.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.815 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.621 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 26.0 mtpp -70.35 -23.58 62.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.358 -175.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -75.13 -47.64 27.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.118 0.485 . . . . 0.0 110.537 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.549 ' O ' ' HD2' ' A' ' 55' ' ' ARG . 9.9 mp -68.69 -30.31 68.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.878 -177.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.0 p -80.59 -3.03 48.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.86 0.362 . . . . 0.0 111.774 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.182 178.302 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 62.1 m . . . . . 0 N--CA 1.45 -0.443 0 CA-C-O 120.944 0.402 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.5 p -141.26 149.42 41.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.372 -177.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 30.9 m -104.1 -176.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.866 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -144.37 168.86 19.08 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.521 -0.178 . . . . 0.0 110.521 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.43 156.96 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.714 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -118.85 -60.62 1.74 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.851 0.358 . . . . 0.0 110.531 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -103.8 177.38 4.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.841 -175.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -107.84 -119.72 4.41 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -150.86 175.93 11.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.716 0.293 . . . . 0.0 110.56 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.43 134.26 49.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.107 0.479 . . . . 0.0 110.906 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -104.41 143.67 32.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.669 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.591 ' HA ' ' HE ' ' A' ' 137' ' ' ARG . 1.3 mmp_? -128.34 88.59 52.15 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.786 0.327 . . . . 0.0 110.291 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -81.12 110.13 2.25 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 123.125 2.55 . . . . 0.0 112.706 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 91.0 mt -103.42 156.77 17.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.976 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -145.0 144.83 31.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 111.363 -176.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 6.0 tt -127.55 123.02 34.82 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.09 137.45 43.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.343 0.592 . . . . 0.0 112.293 -172.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -113.9 140.73 48.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.42 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -140.97 137.71 33.25 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 . . . . . 0 C--N 1.324 -0.534 0 CA-C-O 120.98 0.419 . . . . 0.0 109.887 178.493 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.825 HD11 HD13 ' A' ' 15' ' ' LEU . 48.9 mm -98.34 120.56 47.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.524 0.202 . . . . 0.0 110.488 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.12 118.35 32.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.616 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 33.4 mm -109.46 165.34 5.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.457 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.412 ' N ' HG22 ' A' ' 4' ' ' ILE . 2.9 p -63.29 169.84 3.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.981 0.42 . . . . 0.0 112.121 -178.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 69.09 -83.63 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.498 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -164.32 20.11 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.11 0.481 . . . . 0.0 110.64 -176.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.616 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 39.6 t -95.8 127.69 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.776 -176.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 m -140.61 147.44 39.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.932 0.396 . . . . 0.0 110.42 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.518 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 4.8 mp -129.43 139.4 51.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.542 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.22 142.3 58.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.915 0.388 . . . . 0.0 110.543 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.03 -24.11 67.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.844 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -76.61 -7.01 54.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.235 -176.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.55 -11.33 56.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.668 0.271 . . . . 0.0 111.341 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.825 HD13 HD11 ' A' ' 2' ' ' ILE . 91.8 mt -85.22 136.24 33.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.908 0.385 . . . . 0.0 111.763 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.469 ' OE1' ' HD2' ' A' ' 40' ' ' ARG . 34.3 mt-10 -86.59 95.33 9.72 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.85 173.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.8 mm -95.61 113.49 30.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.555 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 p -117.9 145.43 44.65 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.108 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.95 130.63 34.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.917 0.389 . . . . 0.0 110.986 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.619 ' HB ' ' HB2' ' A' ' 36' ' ' ALA . 60.8 mt -81.75 126.22 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.43 178.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.521 174.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.619 ' HB2' ' HB ' ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.551 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 47.4 mm -100.96 117.89 46.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.234 0.54 . . . . 0.0 111.688 -172.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.602 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 47.6 t-80 -113.68 108.02 16.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.405 174.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.605 HD22 ' HB ' ' A' ' 72' ' ' ILE . 2.4 pt? -129.06 148.94 51.06 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.055 0.455 . . . . 0.0 110.402 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.469 ' HD2' ' OE1' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -123.95 121.37 35.12 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.506 178.766 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.479 ' HE2' ' HG ' ' A' ' 48' ' ' LEU . 37.1 t80 -99.12 102.55 14.26 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 175.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.535 ' HA ' HG22 ' A' ' 69' ' ' VAL . 25.8 t70 -95.27 140.34 30.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.456 0.646 . . . . 0.0 111.384 -174.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.3 mp -91.4 -39.55 11.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.07 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -36.84 64.64 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.457 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.76 -3.74 13.42 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.632 0.373 . . . . 0.0 111.833 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.8 t 67.23 119.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.258 1.028 . . . . 0.0 111.64 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -157.01 -66.88 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.835 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.115 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HG ' ' HE2' ' A' ' 41' ' ' PHE . 89.2 mt -75.72 145.82 79.02 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 173.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.56 151.25 39.23 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.383 2.055 . . . . 0.0 110.958 172.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.89 ' HG3' ' HD2' ' A' ' 53' ' ' LYS . 22.4 tt0 -65.5 -20.52 66.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.807 0.337 . . . . 0.0 111.554 -171.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -68.62 -26.36 65.31 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.295 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -82.11 -34.95 29.02 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 171.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.89 ' HD2' ' HG3' ' A' ' 50' ' ' GLU . 1.0 OUTLIER -59.4 -40.69 87.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.033 177.738 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 84.2 mm-40 -60.82 -44.08 97.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.818 177.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -56.12 -49.04 75.02 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.793 HD23 HD22 ' A' ' 98' ' ' LEU . 80.4 mt -65.45 -28.59 69.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.764 -175.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.9 mt -85.82 -22.52 27.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.501 -178.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.4 p -84.15 -33.89 24.16 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.54 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.8 101.19 9.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.755 0.312 . . . . 0.0 111.438 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.4 m -68.83 99.09 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -99.66 27.9 5.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.33 -170.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 72.18 -56.61 0.64 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.67 0.788 . . . . 0.0 110.986 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.4 -19.71 65.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.751 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.1 mm -82.44 124.46 39.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 173.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.9 m -57.28 -66.13 0.51 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.193 0.308 . . . . 0.0 110.882 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 177.87 -53.39 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.576 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -81.22 -25.36 36.75 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -174.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.53 52.08 0.07 OUTLIER Glycine 0 C--O 1.228 -0.279 0 C-N-CA 119.974 -1.108 . . . . 0.0 113.778 175.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 42' ' ' ASP . 12.8 p -138.42 144.11 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 173.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.1 mt -115.55 117.2 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.703 0.287 . . . . 0.0 110.444 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.2 mp -104.97 123.28 58.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.605 ' HB ' HD22 ' A' ' 39' ' ' LEU . 4.2 mp -98.87 129.47 49.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -109.38 99.72 8.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.046 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.551 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -107.33 124.34 49.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.21 0.529 . . . . 0.0 111.035 -177.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -157.68 107.53 2.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.724 178.12 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.53 ' HB3' HD22 ' A' ' 83' ' ' ASN . 34.8 tt0 -145.38 -76.95 0.21 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.469 -176.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -114.51 173.82 6.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.595 -172.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 78' ' ' ARG . 2.9 ptm180 -77.04 -3.7 40.46 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.639 -176.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.467 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 50.0 m -97.09 111.48 23.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.969 0.414 . . . . 0.0 110.573 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -62.72 -32.98 74.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.1 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -56.77 -53.95 51.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.271 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 79' ' ' SER . 4.1 pp -65.88 -35.34 80.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.034 0.445 . . . . 0.0 110.495 -177.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.53 HD22 ' HB3' ' A' ' 76' ' ' GLU . 0.3 OUTLIER -64.28 -38.56 91.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.673 176.208 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.3 mtp85 -65.48 -50.12 66.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -59.2 -45.25 91.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.337 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' A' ' 90' ' ' ARG . . . -66.38 -28.8 68.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 178.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.498 ' HB2' HD22 ' A' ' 39' ' ' LEU . . . -70.62 -46.66 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.928 0.394 . . . . 0.0 110.621 177.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.599 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 79.3 mt -65.01 -48.54 83.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.532 177.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.89 -25.45 68.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.017 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -65.72 -49.13 69.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.332 177.725 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.3 pp -69.73 -35.48 75.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.497 -176.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.442 HG21 ' O ' ' A' ' 88' ' ' ILE . 85.9 t -62.33 -39.69 85.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.29 177.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -63.22 -44.25 95.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.387 177.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.2 t -58.07 -43.77 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 91' ' ' LEU . 82.9 mt -57.41 -42.73 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.065 0.459 . . . . 0.0 110.402 177.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -71.42 -31.73 67.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.556 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 93' ' ' ALA . 57.3 mt-10 -68.54 -28.27 66.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.608 0.242 . . . . 0.0 111.566 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.793 HD22 HD23 ' A' ' 56' ' ' LEU . 10.7 mp -93.39 -30.96 14.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.046 179.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.2 p -77.42 -44.95 27.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.228 -0.295 . . . . 0.0 110.724 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.714 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 173.139 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.2 p . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 121.069 0.462 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.2 m -119.37 105.09 10.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.388 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.27 133.94 55.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.746 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -165.54 118.78 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.162 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.15 109.36 8.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.924 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -111.09 171.39 7.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.992 0.425 . . . . 0.0 110.717 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -149.96 148.61 29.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.039 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -123.08 179.76 16.03 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.819 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -120.48 143.93 48.27 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.2 p -108.66 142.58 20.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.283 0.563 . . . . 0.0 111.688 -174.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -133.01 134.14 44.05 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 171.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -128.85 129.76 23.46 Favored Pre-proline 0 C--N 1.321 -0.667 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.668 -175.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -87.18 166.25 8.17 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 123.18 2.587 . . . . 0.0 112.611 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 57.9 tp -147.93 113.76 5.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.956 177.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -101.93 132.3 47.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.392 0.615 . . . . 0.0 110.778 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 7.2 mp -106.7 6.4 29.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.586 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -66.8 118.82 10.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.522 -173.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -129.63 159.01 37.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.996 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -115.63 170.12 8.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.617 0.246 . . . . 0.0 110.384 -172.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 30.0 t60 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.196 -178.913 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.443 ' N ' HD13 ' A' ' 2' ' ' ILE . 3.4 mp -84.99 116.08 27.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 120.94 0.4 . . . . 0.0 110.248 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.46 125.4 46.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.556 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.442 HG21 ' N ' ' A' ' 5' ' ' SER . 31.5 mm -109.31 165.2 5.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.442 ' N ' HG21 ' A' ' 4' ' ' ILE . 14.9 m -60.16 160.92 7.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 173.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 5' ' ' SER . 4.1 mpt_? 65.03 -164.35 0.25 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -175.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -88.77 37.94 0.86 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.887 0.851 . . . . 0.0 110.582 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.9 t -103.69 130.85 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.17 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -142.33 153.71 44.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.41 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 66.0 mt -133.48 133.87 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.656 -175.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.495 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -72.28 151.69 42.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.9 0.381 . . . . 0.0 110.52 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -75.26 -20.54 59.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -173.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -81.88 -5.22 58.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 0.0 110.946 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.495 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 23.9 mm-40 -89.02 -2.6 58.65 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.024 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.427 HD13 HD11 ' A' ' 2' ' ' ILE . 91.4 mt -82.83 136.06 34.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.677 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -85.1 102.55 13.34 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 176.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.9 mm -96.0 117.66 40.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.27 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.29 133.74 55.63 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.288 177.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.35 127.74 34.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.466 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.489 HD11 ' HB1' ' A' ' 36' ' ' ALA . 53.0 mt -75.03 123.14 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.592 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.586 177.252 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.489 ' HB1' HD11 ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.443 -0.783 0 CA-C-O 120.953 0.406 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.9 mm -99.93 135.72 34.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.799 -173.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -148.08 133.18 18.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.511 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -139.25 150.45 45.5 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.893 0.378 . . . . 0.0 110.25 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -126.17 123.27 37.87 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.177 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -116.17 109.48 17.51 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.183 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -110.95 158.9 18.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.08 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.0 mp -62.41 -43.3 98.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.264 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -60.23 -30.15 69.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.767 -174.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.36 -27.87 69.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 p -129.81 -175.65 3.67 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.115 0.484 . . . . 0.0 111.353 -175.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.05 65.51 0.25 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.107 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.6 mt -75.24 144.51 78.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.49 156.03 49.24 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.755 2.303 . . . . 0.0 112.258 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.561 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 2.2 mp0 -61.08 -41.2 96.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 0.0 110.669 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -66.42 -22.98 66.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.328 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.46 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -79.36 -44.17 22.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.824 173.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -52.82 -41.49 64.25 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.75 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 30.8 mm-40 -54.8 -56.72 16.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.661 -177.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -75.52 -24.63 56.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -171.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.524 ' HA ' HD22 ' A' ' 98' ' ' LEU . 91.2 mt -72.07 -41.72 67.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.754 0.311 . . . . 0.0 111.414 -177.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.57 -17.76 43.73 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -174.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.1 p -76.12 -34.42 59.46 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.28 117.04 10.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.328 0.585 . . . . 0.0 111.781 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 m -85.38 88.94 7.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.001 178.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -131.09 136.82 48.74 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -67.79 -5.8 18.12 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -172.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.0 mt -69.83 -26.53 64.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.29 0.567 . . . . 0.0 109.586 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.433 ' CD1' HG12 ' A' ' 70' ' ' ILE . 24.0 mm -85.37 131.43 34.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 174.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.8 m -81.43 -85.35 0.1 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.572 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 68' ' ' GLY . 37.2 t70 -163.93 -38.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.163 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -72.87 20.2 0.08 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 66' ' ' ASP . . . 66.77 38.17 92.87 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.573 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.7 143.8 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 115.592 -0.304 . . . . 0.0 110.232 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.433 HG12 ' CD1' ' A' ' 64' ' ' ILE . 40.6 mt -94.29 119.56 42.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.034 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.5 mp -104.29 118.46 51.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.297 0.57 . . . . 0.0 110.191 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.9 mm -118.7 129.19 75.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.069 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -117.44 152.97 33.91 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 173.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.91 126.55 8.82 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.862 0.363 . . . . 0.0 111.497 -177.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.408 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 1.2 pp0? -154.87 102.18 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.76 0.79 . . . . 0.0 110.016 173.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -117.47 -75.16 0.58 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.535 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.641 ' HB3' HD23 ' A' ' 82' ' ' LEU . 20.4 t80 -103.86 172.66 6.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 173.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.425 ' C ' ' HD2' ' A' ' 78' ' ' ARG . 7.5 ppt_? -82.21 -1.68 49.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.713 0.292 . . . . 0.0 111.78 -175.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.454 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 20.0 m -84.65 108.57 17.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.917 0.389 . . . . 0.0 110.669 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.414 ' HG2' ' N ' ' A' ' 81' ' ' GLU . 5.5 pm0 -55.76 -41.52 74.11 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -174.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.414 ' N ' ' HG2' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -58.24 -45.95 86.83 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -175.711 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.641 HD23 ' HB3' ' A' ' 77' ' ' PHE . 3.5 pp -68.99 -34.51 75.42 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.099 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -65.14 -39.59 93.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.169 175.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.3 ttm-85 -57.82 -54.42 47.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.136 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.34 -38.15 79.63 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.986 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.76 94.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.701 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.1 -43.63 94.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.635 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.541 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 89.3 mt -61.26 -49.48 84.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.312 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.58 -40.26 82.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.01 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.436 ' O ' HG23 ' A' ' 94' ' ' VAL . 12.4 mmt180 -61.52 -51.43 68.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.812 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.6 pp -64.72 -39.04 92.97 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.725 -176.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.422 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 96.2 t -64.6 -42.49 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.277 177.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.27 -43.37 92.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.858 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.479 ' O ' HD12 ' A' ' 98' ' ' LEU . 93.1 t -62.07 -45.12 99.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.138 176.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 45.9 mt -52.56 -46.77 49.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 176.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' A' ' 92' ' ' VAL . 9.0 mtpp -64.93 -27.86 69.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.409 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -77.51 -29.49 52.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.173 0.511 . . . . 0.0 110.923 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.524 HD22 ' HA ' ' A' ' 56' ' ' LEU . 10.2 mp -90.58 -43.46 10.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.315 -176.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 55.2 p -89.85 -17.78 27.45 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -170.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.707 -179.433 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.268 0.556 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.7 m -94.08 110.89 22.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.997 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.4 m -135.99 139.04 46.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 120.933 0.397 . . . . 0.0 111.972 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -144.02 126.68 16.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.542 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -98.14 144.08 27.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.515 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -146.57 120.05 9.07 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -116.5 132.4 56.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.52 110.79 0.46 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.277 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -140.04 95.66 2.93 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.9 171.94 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.26 0.552 . . . . 0.0 111.858 -174.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -142.19 118.76 10.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.196 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 137' ' ' ARG . 6.9 tpt180 -120.62 98.69 48.02 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-O 120.928 0.394 . . . . 0.0 110.665 -177.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -92.15 121.07 0.55 Allowed 'Trans proline' 0 N--CA 1.45 -1.078 0 C-N-CA 123.282 2.654 . . . . 0.0 112.297 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.439 ' O ' HD13 ' A' ' 139' ' ' LEU . 3.2 pp -126.33 141.01 52.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.138 175.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -113.92 151.81 31.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.105 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 87.7 mt -124.5 126.46 45.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.033 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -93.2 147.34 22.97 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.174 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -155.47 107.72 2.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.343 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -173.67 136.51 0.57 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 177.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 . . . . . 0 C--N 1.325 -0.49 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.76 -176.613 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.46 ' SD ' ' HA ' ' A' ' 11' ' ' ALA . 13.1 tpt . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.436 ' N ' HD13 ' A' ' 2' ' ' ILE . 3.9 mp -107.6 119.21 56.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.987 0.422 . . . . 0.0 110.477 -175.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.83 118.67 33.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.72 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.532 HG13 HD13 ' A' ' 10' ' ' ILE . 41.1 mm -109.4 165.7 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.421 ' N ' HG21 ' A' ' 4' ' ' ILE . 9.5 t -64.3 157.54 25.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.734 ' HG2' ' H ' ' A' ' 7' ' ' THR . 14.6 ttm180 69.94 -176.54 0.2 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -175.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.734 ' H ' ' HG2' ' A' ' 6' ' ' ARG . 8.9 t -77.25 13.34 1.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -176.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.439 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 45.8 t -104.4 114.11 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.99 0.424 . . . . 0.0 110.952 -175.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.5 m -108.27 150.77 26.85 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 175.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.532 HD13 HG13 ' A' ' 4' ' ' ILE . 1.6 mp -113.09 135.9 51.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.76 0.314 . . . . 0.0 110.262 -175.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.46 ' HA ' ' SD ' ' A' ' 1' ' ' MET . . . -76.37 152.13 36.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.92 -178.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.1 -15.64 62.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.013 0.435 . . . . 0.0 110.93 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -78.42 -11.61 59.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.555 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -78.97 -25.54 43.47 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.018 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -83.03 129.98 35.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.226 -176.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.567 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 68.1 mm-40 -83.34 114.05 21.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.095 174.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mm -99.2 124.52 52.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.499 -174.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.83 149.46 35.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.743 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.68 145.85 24.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 176.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.528 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 53.6 mt -97.93 117.7 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.958 0.408 . . . . 0.0 111.157 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.159 174.571 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.528 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.454 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 50.5 mm -99.74 134.59 38.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.252 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.441 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 29.9 t-80 -130.14 136.12 48.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.433 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.567 ' HA ' ' O ' ' A' ' 16' ' ' GLU . 2.5 pt? -142.83 150.07 39.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.248 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -118.66 149.68 41.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.224 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -161.91 115.01 1.81 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.79 ' HB3' ' HB ' ' A' ' 69' ' ' VAL . 2.7 p30 -125.5 162.2 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.16 0.505 . . . . 0.0 111.495 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.478 HD13 ' HB2' ' A' ' 56' ' ' LEU . 32.2 mt -58.46 -43.27 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.545 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -60.87 -38.2 84.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.059 -174.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.82 -59.56 5.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.054 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.8 m -90.97 -160.51 0.72 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.849 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.64 64.42 0.55 Allowed Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.639 -0.584 . . . . 0.0 111.639 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.3 mt -74.43 147.48 85.08 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 120.541 0.21 . . . . 0.0 111.207 -176.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.29 146.83 90.71 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.694 2.263 . . . . 0.0 111.729 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.746 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 12.4 pt-20 -62.44 -27.48 69.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.419 -175.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -57.41 -42.14 81.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.036 0.446 . . . . 0.0 110.126 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.409 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 78.7 m-85 -81.42 -36.94 28.88 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.217 177.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.746 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 43.7 tttm -53.65 -50.81 64.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.706 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 11.2 mm100 -63.65 -42.95 98.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.568 0.223 . . . . 0.0 111.053 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -60.34 -37.55 81.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.54 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.595 HD23 ' HG ' ' A' ' 98' ' ' LEU . 97.6 mt -76.02 -35.54 59.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.374 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.3 mt -70.63 -46.63 62.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.655 0.264 . . . . 0.0 111.074 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 m -72.34 -61.92 1.62 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.4 ' HA ' HD12 ' A' ' 98' ' ' LEU . . . 54.48 179.26 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 176.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.1 t -173.08 28.91 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.061 -1.427 . . . . 0.0 107.172 176.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.757 ' HB3' HD22 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -127.59 129.33 47.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.555 -1.202 . . . . 0.0 109.401 -173.678 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -82.12 45.21 0.91 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.937 0.875 . . . . 0.0 111.241 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.757 HD22 ' HB3' ' A' ' 61' ' ' HIS . 2.3 mm? -111.6 -18.01 12.9 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.251 -1.341 . . . . 0.0 109.168 169.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.7 mm -82.66 136.46 22.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.023 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 1.06 ' HB3' HG11 ' A' ' 69' ' ' VAL . 40.6 t -79.04 -46.28 18.45 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.206 -178.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.5 t70 175.53 -76.66 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.47 0.481 . . . . 0.0 111.443 174.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -83.6 51.27 1.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.528 0.68 . . . . 0.0 111.014 -170.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.42 26.72 73.73 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.116 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 1.06 HG11 ' HB3' ' A' ' 65' ' ' SER . 3.1 p -113.58 142.69 25.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 55.9 mt -96.24 139.76 18.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.426 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.5 tp -124.21 116.23 47.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.502 0.668 . . . . 0.0 110.149 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.508 ' HB ' HD22 ' A' ' 39' ' ' LEU . 46.8 mm -125.21 139.66 50.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.661 -178.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.48 157.26 22.21 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 171.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.454 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -152.2 123.47 7.69 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.827 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -166.38 104.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.583 0.706 . . . . 0.0 109.945 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.425 ' HB2' HD22 ' A' ' 83' ' ' ASN . 56.8 mm-40 -114.17 -69.24 0.87 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.562 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -111.95 -85.25 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.775 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -166.86 -21.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.93 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.2 m -69.8 110.57 5.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.585 0.231 . . . . 0.0 110.438 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -56.35 -35.86 68.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.704 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -50.72 -53.05 34.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.67 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -43.7 94.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.76 -174.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.425 HD22 ' HB2' ' A' ' 76' ' ' GLU . 13.1 m120 -71.71 -35.25 70.17 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.511 -177.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -64.61 -50.85 65.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.389 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -53.9 -47.07 71.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.213 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.35 -45.78 92.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.957 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.54 -45.89 84.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 111.162 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.548 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 85.1 mt -63.67 -50.08 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.759 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.61 89.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.656 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.487 ' O ' HG21 ' A' ' 94' ' ' VAL . 99.5 mtt180 -66.85 -39.81 87.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.702 -178.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 2.4 pp -68.43 -37.17 80.03 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.336 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 88' ' ' ILE . 96.4 t -63.17 -42.32 96.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 121.153 0.501 . . . . 0.0 110.0 176.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.07 -38.93 93.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.743 177.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.594 HG22 ' HG ' ' A' ' 63' ' ' LEU . 55.9 t -61.42 -44.65 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.067 178.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 91' ' ' LEU . 82.0 mt -57.57 -42.23 80.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.903 0.382 . . . . 0.0 110.624 178.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -70.35 -36.27 74.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.313 0.578 . . . . 0.0 110.487 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.613 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 3.0 mm-40 -58.7 -41.24 85.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.36 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.595 ' HG ' HD23 ' A' ' 56' ' ' LEU . 4.0 mm? -68.64 -26.33 65.28 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -177.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.8 p -89.33 -13.79 37.11 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.808 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 120.749 0.309 . . . . 0.0 110.984 -178.164 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.456 0.17 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.4 m -131.24 130.73 43.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.623 0.249 . . . . 0.0 110.987 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 24.7 m -136.6 148.82 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.461 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -146.91 176.4 9.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.758 178.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -141.62 158.68 43.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.989 0.423 . . . . 0.0 111.421 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -139.54 179.92 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.056 178.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -136.7 158.16 45.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.499 0.19 . . . . 0.0 110.568 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.28 -174.15 28.7 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.473 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -144.6 133.16 22.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.682 0.277 . . . . 0.0 110.284 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.7 m -101.17 168.11 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.034 0.445 . . . . 0.0 111.766 -175.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.416 ' O ' ' HD3' ' A' ' 138' ' ' PRO . 60.5 ttt180 -140.24 148.13 41.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.512 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -107.29 100.46 33.41 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.659 0.266 . . . . 0.0 110.41 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 136' ' ' ARG . 10.0 Cg_endo -91.0 128.61 1.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.26 2.64 . . . . 0.0 112.425 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 139' ' ' LEU . 2.2 pt? -144.95 140.12 28.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.297 177.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -125.39 152.88 44.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -97.89 174.53 6.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.998 0.428 . . . . 0.0 110.938 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -107.16 168.46 9.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.514 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 -143.8 101.15 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.659 0.742 . . . . 0.0 110.23 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -104.74 137.58 42.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.179 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 28.6 p80 . . . . . 0 C--N 1.322 -0.592 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.037 177.567 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttt . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.482 HD13 ' HB3' ' A' ' 12' ' ' ASP . 46.8 mm -94.54 125.02 47.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.659 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.11 101.83 13.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.046 0.451 . . . . 0.0 110.842 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.538 ' HB ' ' O ' ' A' ' 8' ' ' VAL . 34.7 mm -88.83 161.38 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 176.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.449 ' O ' ' HB3' ' A' ' 6' ' ' ARG . 4.1 p -63.29 169.55 3.54 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.66 0.266 . . . . 0.0 111.384 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.463 ' HG2' ' OG1' ' A' ' 7' ' ' THR . 36.8 ttt-85 73.86 -80.79 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.698 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.463 ' OG1' ' HG2' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -169.99 -32.82 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.934 0.397 . . . . 0.0 110.976 -174.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.538 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 7.7 p -60.98 132.86 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.998 -175.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -119.45 155.24 32.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.676 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.0 mt -130.12 147.8 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.16 -178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.69 125.2 33.0 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 174.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.482 ' HB3' HD13 ' A' ' 2' ' ' ILE . 5.9 p-10 -72.74 -5.62 39.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.241 0.543 . . . . 0.0 111.127 -178.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -75.84 -18.72 59.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.076 176.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -86.4 -9.39 56.42 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.426 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.481 ' HG ' ' HA ' ' A' ' 12' ' ' ASP . 85.0 mt -69.29 135.19 50.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.091 0.472 . . . . 0.0 111.509 -174.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' HB2' ' HB3' ' A' ' 40' ' ' ARG . 51.2 mt-10 -85.85 94.61 9.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.906 -178.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.4 mm -87.36 123.48 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.56 149.57 24.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.851 0.358 . . . . 0.0 110.834 -173.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.55 108.84 20.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.683 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.487 HD11 ' HB2' ' A' ' 38' ' ' HIS . 36.9 mt -75.72 125.17 35.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.847 -175.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 . . . . . 0 C--N 1.323 -0.553 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 175.253 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.386 0 CA-C-O 120.705 0.288 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.5 mm -111.34 133.2 57.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.803 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.487 ' HB2' HD11 ' A' ' 20' ' ' ILE . 60.4 t-80 -130.47 128.28 40.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.615 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.4 pt? -131.0 150.27 52.23 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.711 0.291 . . . . 0.0 110.254 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.424 ' CG ' HG21 ' A' ' 69' ' ' VAL . 71.0 ttt-85 -122.3 114.9 21.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.127 -178.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.45 ' HZ ' HD21 ' A' ' 48' ' ' LEU . 78.5 t80 -118.13 102.3 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -97.72 145.88 25.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.269 -174.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.681 ' HA ' HD13 ' A' ' 48' ' ' LEU . 51.4 mt -72.39 -47.72 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.033 -178.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -71.65 -35.41 70.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.036 -174.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.19 -29.4 66.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.193 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 t -98.19 176.76 5.62 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.226 0.536 . . . . 0.0 110.174 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.7 53.53 0.71 Allowed Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.505 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.681 HD13 ' HA ' ' A' ' 43' ' ' ILE . 88.1 mt -75.67 145.39 78.51 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.858 0.361 . . . . 0.0 111.2 -176.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 38.5 Cg_exo -61.53 147.85 94.43 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.985 2.457 . . . . 0.0 112.198 177.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.25 -37.73 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.879 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -61.45 -39.19 89.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.305 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.429 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 54.3 m-85 -77.18 -36.7 54.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.807 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -51.54 -57.22 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.509 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -58.81 -43.21 90.55 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -62.45 -39.33 93.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.586 HD21 HD23 ' A' ' 98' ' ' LEU . 95.6 mt -63.22 -28.08 69.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.005 0.431 . . . . 0.0 111.123 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.1 mt -91.47 -19.75 22.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.848 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.9 p -96.01 -43.43 7.79 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -176.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.45 111.95 15.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.046 0.45 . . . . 0.0 110.129 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.3 m -80.52 78.36 7.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.498 0.665 . . . . 0.0 110.785 -174.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.47 131.24 37.06 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -73.62 59.19 0.62 Allowed 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 mp -143.59 -9.6 0.73 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.605 171.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.8 mm -73.16 130.25 35.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.756 ' HB2' ' HB ' ' A' ' 71' ' ' ILE . 34.7 t -82.98 -83.43 0.14 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.351 -175.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' A' ' 68' ' ' GLY . 15.2 t70 -164.16 -40.48 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.808 0.337 . . . . 0.0 111.413 -177.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.67 -1.27 1.77 Allowed 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.768 -178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' A' ' 66' ' ' ASP . . . 81.73 35.31 22.58 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 -164.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 65' ' ' SER . 8.2 p -124.96 145.79 31.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 114.124 -1.038 . . . . 0.0 110.614 -171.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.2 mt -85.04 122.87 38.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.756 ' HB ' ' HB2' ' A' ' 65' ' ' SER . 1.1 tp -121.01 135.18 62.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.131 0.491 . . . . 0.0 110.38 -176.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.615 ' HB ' HD21 ' A' ' 39' ' ' LEU . 5.0 mp -128.8 124.42 61.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.277 177.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -103.81 97.03 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 170.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.96 135.96 35.85 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.765 -173.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.8 104.15 2.84 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.27 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.456 ' HB3' HD22 ' A' ' 83' ' ' ASN . 3.4 tm-20 -94.05 -86.28 0.27 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.231 178.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -146.85 -51.1 0.21 Allowed 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.233 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -158.23 -36.46 0.07 Allowed 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -172.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 t -73.57 106.94 5.56 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.153 -0.342 . . . . 0.0 111.518 -173.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -35.76 81.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.308 0.575 . . . . 0.0 109.606 177.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -58.83 -49.67 76.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.162 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 tp -71.7 -32.44 67.82 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.316 -177.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.456 HD22 ' HB3' ' A' ' 76' ' ' GLU . 13.1 m-80 -63.28 -35.23 79.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.5 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -60.92 -53.75 53.4 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.153 0.501 . . . . 0.0 110.373 173.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -57.12 -43.94 82.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.482 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.574 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -67.39 -45.32 76.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.14 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.64 -47.17 86.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.76 0.314 . . . . 0.0 111.192 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.619 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.6 mt -64.13 -49.39 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.803 178.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.06 75.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.477 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.574 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 8.7 mpt_? -62.02 -45.82 91.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.605 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.3 pp -69.6 -36.28 76.06 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.068 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 88' ' ' ILE . 96.8 t -63.64 -33.06 59.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.053 0.454 . . . . 0.0 110.366 176.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -71.02 -41.35 70.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.543 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 90' ' ' ARG . 75.2 t -57.32 -42.74 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 120.916 0.389 . . . . 0.0 110.399 177.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 91' ' ' LEU . 94.6 mt -55.7 -35.87 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.701 177.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -81.59 -34.42 31.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.685 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 93' ' ' ALA . 50.9 mt-10 -66.32 -33.36 75.55 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 111.505 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.586 HD23 HD21 ' A' ' 56' ' ' LEU . 11.0 mp -81.41 -15.57 54.77 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 p -99.1 -52.55 3.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.957 0.408 . . . . 0.0 110.484 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.591 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 170.031 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 28.8 p -139.89 175.46 9.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.841 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.0 p -147.42 129.73 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.247 0.546 . . . . 0.0 111.256 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -132.93 116.69 16.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.681 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.01 113.06 11.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.416 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 56.9 tp -122.88 135.4 54.5 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -115.02 147.55 39.97 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.049 174.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.83 152.26 24.13 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.436 ' O ' ' HD2' ' A' ' 134' ' ' LYS . 0.1 OUTLIER -142.3 146.78 35.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.165 0.507 . . . . 0.0 111.4 -179.043 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.14 133.78 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.295 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.44 121.81 4.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.04 0.448 . . . . 0.0 111.8 -177.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' A' ' 138' ' ' PRO . 13.3 ttp180 -158.64 116.42 1.72 Allowed Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.678 172.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 137' ' ' ARG . 23.3 Cg_exo -64.58 150.92 87.41 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.035 2.49 . . . . 0.0 112.486 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.9 tt -109.93 105.39 14.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.839 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -105.25 131.95 52.07 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 49.8 tp -133.47 136.16 44.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.309 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.16 170.05 9.38 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.277 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -120.67 75.02 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.805 0.336 . . . . 0.0 110.178 -178.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -70.26 158.4 35.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.354 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 . . . . . 0 C--N 1.318 -0.764 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.488 -178.085 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.515 ' HA ' ' HB2' ' A' ' 12' ' ' ASP . 19.3 ptm . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.531 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 42.2 mm -97.75 95.81 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.45 114.69 26.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.065 -174.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.538 ' HB ' ' O ' ' A' ' 8' ' ' VAL . 20.0 mm -109.64 165.14 5.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 4' ' ' ILE . 50.2 m -71.34 174.62 6.26 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 175.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.781 ' HG3' ' H ' ' A' ' 7' ' ' THR . 8.7 tpt180 67.51 -165.18 0.21 Allowed 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -175.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.781 ' H ' ' HG3' ' A' ' 6' ' ' ARG . 10.6 t -91.35 18.14 7.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.207 0.527 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.538 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 40.9 t -112.65 123.87 68.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.997 -177.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.0 m -147.92 161.29 41.61 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.531 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 4.3 mp -117.11 144.24 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -175.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.509 ' HB2' ' HG2' ' A' ' 14' ' ' GLU . . . -61.23 154.32 23.84 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 110.798 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.515 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 13.4 t70 -65.45 -48.78 71.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -170.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -89.58 19.39 4.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.05 0.452 . . . . 0.0 111.243 -171.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.509 ' HG2' ' HB2' ' A' ' 11' ' ' ALA . 19.3 mm-40 -79.16 -37.56 38.1 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.871 0.367 . . . . 0.0 110.925 176.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.532 HD21 ' HD1' ' A' ' 41' ' ' PHE . 68.7 mt -85.49 138.43 32.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.586 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -88.03 131.41 34.66 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.27 0.557 . . . . 0.0 110.816 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.468 HD13 ' HB3' ' A' ' 39' ' ' LEU . 41.5 mm -103.39 111.92 34.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.534 177.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.95 151.18 26.15 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 36' ' ' ALA . . . -82.72 130.92 35.2 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.559 HG12 ' HB2' ' A' ' 38' ' ' HIS . 56.2 mt -67.01 113.53 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.363 0.601 . . . . 0.0 110.551 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 . . . . . 0 C--N 1.317 -0.831 0 CA-C-O 122.081 0.943 . . . . 0.0 109.009 179.511 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.55 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.443 -0.821 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.541 ' HB ' ' HB1' ' A' ' 74' ' ' ALA . 46.6 mm -100.14 122.22 51.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-O 121.648 0.737 . . . . 0.0 112.258 -170.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.559 ' HB2' HG12 ' A' ' 20' ' ' ILE . 13.3 t-80 -127.1 108.26 10.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.821 173.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.468 ' HB3' HD13 ' A' ' 17' ' ' ILE . 2.7 pt? -116.08 148.18 40.5 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 40' ' ' ARG . 10.4 ptm180 -115.0 120.49 40.07 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.171 -0.612 . . . . 0.0 111.368 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.532 ' HD1' HD21 ' A' ' 15' ' ' LEU . 90.3 t80 -120.35 105.98 11.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.676 177.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.484 ' HB3' HG22 ' A' ' 69' ' ' VAL . 5.5 p-10 -117.3 154.68 30.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.132 0.491 . . . . 0.0 111.031 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.471 HD11 ' HB3' ' A' ' 56' ' ' LEU . 2.1 mp -59.13 -42.09 85.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.88 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -63.98 -8.03 10.29 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.17 -4.19 32.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.3 t -137.55 138.79 39.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.111 0.481 . . . . 0.0 110.849 -176.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.09 64.07 3.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.195 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 mt -75.96 150.04 83.2 Favored Pre-proline 0 C--N 1.318 -0.765 0 C-N-CA 122.408 0.283 . . . . 0.0 111.407 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.55 145.04 99.18 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.795 2.33 . . . . 0.0 111.306 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 0.9 OUTLIER -60.32 -40.28 90.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.25 0.834 . . . . 0.0 113.25 -168.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -60.53 -51.28 70.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.887 0.375 . . . . 0.0 111.259 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.436 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 60.4 m-85 -65.77 -37.2 85.68 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.109 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -58.05 -41.03 82.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.255 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 13.1 mm-40 -63.44 -46.03 88.19 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.026 0.441 . . . . 0.0 110.636 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -63.44 -36.96 85.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.854 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.54 ' HA ' HD22 ' A' ' 98' ' ' LEU . 92.3 mt -74.62 -28.68 60.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.278 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.0 mt -75.47 -41.91 54.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.716 0.293 . . . . 0.0 111.06 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.6 p -68.8 -47.8 65.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.903 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.962 ' HA ' ' HG ' ' A' ' 98' ' ' LEU . . . 60.1 -167.28 0.18 Allowed 'General case' 0 C--O 1.232 0.173 0 O-C-N 123.804 0.69 . . . . 0.0 112.142 175.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.7 t -169.46 27.59 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.524 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -148.15 155.33 41.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.402 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -74.99 12.42 0.87 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -174.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.458 HD21 HD13 ' A' ' 72' ' ' ILE . 6.9 mp -83.01 -7.37 59.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.874 0.369 . . . . 0.0 110.921 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.0 mm -80.79 131.64 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.892 174.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.49 ' HB2' HD12 ' A' ' 71' ' ' ILE . 34.8 t -92.96 -80.17 0.38 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.511 -177.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.4 -85.38 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.267 -172.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -87.24 -85.23 0.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.994 0.426 . . . . 0.0 110.735 -177.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -139.61 56.95 0.62 Allowed Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.537 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 42' ' ' ASP . 7.3 p -120.37 141.73 39.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.874 0.369 . . . . 0.0 110.322 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.2 mp -107.4 119.84 57.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.483 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.49 HD12 ' HB2' ' A' ' 65' ' ' SER . 1.9 mp -102.0 118.13 48.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.191 0.519 . . . . 0.0 110.215 178.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.62 HG13 ' HB3' ' A' ' 91' ' ' LEU . 45.6 mm -99.68 115.84 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.725 177.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -96.96 119.64 35.81 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.199 176.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.541 ' HB1' ' HB ' ' A' ' 37' ' ' ILE . . . -120.32 124.19 44.97 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.038 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -153.43 102.37 2.58 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -125.56 -58.86 1.4 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.058 -177.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -167.02 -164.47 0.62 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -176.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 78' ' ' ARG . 13.6 ptt180 -70.69 -174.34 0.89 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.674 0.215 . . . . 0.0 110.765 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.6 m 68.31 85.16 0.14 Allowed 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.597 0.713 . . . . 0.0 111.095 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -57.49 -26.03 60.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.389 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -56.99 -53.6 56.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.753 0.311 . . . . 0.0 111.337 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.592 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 2.1 pp -72.94 -29.61 63.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.219 -177.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -65.31 -40.81 94.23 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.456 ' O ' HG13 ' A' ' 88' ' ' ILE . 31.3 ttt-85 -66.83 -51.64 53.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.779 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.592 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -61.23 -35.83 78.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.993 -177.403 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.47 -37.4 74.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.361 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.55 96.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.279 176.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.678 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 77.6 mt -61.4 -51.42 73.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.143 176.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.29 80.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.917 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.406 ' O ' HG22 ' A' ' 94' ' ' VAL . 11.6 ttp180 -71.0 -35.0 71.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.406 -178.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.678 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.2 pp -70.91 -35.76 72.41 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.861 178.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.536 HG13 ' HE2' ' A' ' 96' ' ' LYS . 49.1 t -66.89 -36.62 77.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.523 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . . . -60.15 -41.72 93.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.373 174.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.474 ' O ' HD13 ' A' ' 98' ' ' LEU . 75.8 t -63.28 -39.82 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.457 175.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 91' ' ' LEU . 80.3 mt -59.57 -41.04 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.664 176.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.536 ' HE2' HG13 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -59.75 -36.95 77.66 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 120.521 0.201 . . . . 0.0 110.814 175.33 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -66.32 -48.16 71.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.357 0.599 . . . . 0.0 110.781 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.962 ' HG ' ' HA ' ' A' ' 59' ' ' ALA . 6.4 mp -70.31 -33.6 71.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.359 -174.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.4 p -93.76 -5.41 48.39 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.851 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 96' ' ' LYS . . . . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.843 0.354 . . . . 0.0 111.34 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 CA--C 1.533 0.319 0 CA-C-O 120.404 0.145 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 42.8 t -170.91 119.29 0.51 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.75 0.309 . . . . 0.0 111.07 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 16.2 m -143.91 142.24 24.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.021 174.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -179.08 99.99 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 111.411 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -147.88 134.78 20.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.593 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 132' ' ' ARG . 2.5 pt? -169.39 126.97 0.94 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.617 0.246 . . . . 0.0 111.414 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 39.2 ttp180 174.71 105.7 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.526 171.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -115.92 99.7 0.9 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.96 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -110.91 140.93 44.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.18 0.514 . . . . 0.0 111.698 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.4 p -142.71 140.1 28.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.328 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -120.87 144.78 48.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.191 0.519 . . . . 0.0 111.794 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -125.55 100.03 32.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.106 176.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -86.21 38.13 0.58 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 123.007 2.472 . . . . 0.0 112.006 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 96.5 mt -86.42 120.17 27.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.443 -170.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -164.65 104.8 0.82 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.875 171.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -123.99 116.91 23.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.025 -170.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.17 150.86 19.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.103 0.478 . . . . 0.0 111.135 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -123.36 112.42 17.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.348 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -122.2 163.9 18.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.934 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 11.7 t60 . . . . . 0 C--N 1.329 -0.319 0 O-C-N 123.987 0.804 . . . . 0.0 111.433 174.861 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.438 ' SD ' ' HA ' ' A' ' 11' ' ' ALA . 14.0 tpt . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.55 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 3.6 mp -102.89 116.24 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.81 0.338 . . . . 0.0 110.182 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.95 125.03 53.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.694 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 5' ' ' SER . 30.7 mm -109.9 165.69 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.564 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 29.5 t -56.64 154.16 9.28 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.564 ' HB2' ' O ' ' A' ' 5' ' ' SER . 13.5 mmt85 75.17 -164.01 0.07 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.752 0.658 . . . . 0.0 109.559 -169.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 t -102.2 35.91 2.27 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.6 0.714 . . . . 0.0 110.447 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.477 HG13 ' HD3' ' A' ' 49' ' ' PRO . 7.7 p -109.09 123.12 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.258 0.552 . . . . 0.0 110.899 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -127.58 152.7 47.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.55 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 mp -117.57 133.15 65.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 177.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.52 ' HB1' ' HG3' ' A' ' 14' ' ' GLU . . . -63.76 150.67 44.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.915 0.388 . . . . 0.0 111.01 -178.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.59 -35.18 79.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.738 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -108.51 33.46 4.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.541 0.686 . . . . 0.0 109.881 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.52 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 2.3 mt-10 -92.56 -35.27 13.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.997 172.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.481 HD12 HD11 ' A' ' 39' ' ' LEU . 97.9 mt -73.15 136.47 44.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.919 -178.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.402 ' CD ' HH12 ' A' ' 40' ' ' ARG . 44.5 mt-10 -80.36 98.68 7.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.304 0.574 . . . . 0.0 110.111 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.38 137.22 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.849 -177.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.11 149.34 48.65 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.575 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.92 140.65 29.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.725 0.297 . . . . 0.0 110.258 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.552 ' CG1' ' HB2' ' A' ' 38' ' ' HIS . 64.1 mt -89.52 116.19 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.279 0.561 . . . . 0.0 110.48 178.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.9 ttp85 . . . . . 0 C--N 1.314 -0.966 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.949 179.395 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.505 ' CB ' ' HB3' ' A' ' 75' ' ' GLN . . . . . . . . 0 N--CA 1.446 -0.642 0 CA-C-O 121.147 0.498 . . . . 0.0 110.759 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -102.09 136.67 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.9 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.552 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 57.1 t-80 -127.2 134.26 50.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.138 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 15' ' ' LEU . 2.7 pt? -136.44 149.61 48.33 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 177.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.402 HH12 ' CD ' ' A' ' 16' ' ' GLU . 13.5 mtp-105 -106.64 110.2 22.32 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.266 176.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -97.09 102.01 13.69 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 174.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -102.08 135.31 43.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.689 -173.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.0 mp -77.19 -43.56 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.543 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -66.66 -39.06 88.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.83 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.0 -8.75 57.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.354 -177.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.2 p -112.69 -172.24 2.01 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 120.803 0.335 . . . . 0.0 110.611 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.41 57.83 0.7 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.083 -0.58 . . . . 0.0 111.718 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.9 mt -75.68 155.0 85.41 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.477 ' HD3' HG13 ' A' ' 8' ' ' VAL . 31.8 Cg_exo -58.45 149.04 77.3 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.271 1.98 . . . . 0.0 111.63 175.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.617 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 45.1 mt-10 -50.25 -54.49 20.82 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.566 -173.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -67.62 -34.2 76.5 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -174.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.417 ' HD1' ' HB2' ' A' ' 49' ' ' PRO . 52.6 m-85 -67.82 -43.29 79.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.858 -0.156 . . . . 0.0 111.276 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.617 ' HE2' ' HA ' ' A' ' 50' ' ' GLU . 59.7 pttt -69.53 -33.88 73.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.685 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 29.4 mm-40 -71.38 -34.93 70.86 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -59.97 -28.86 68.02 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.814 0.34 . . . . 0.0 111.207 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.7 mt -75.6 -35.03 60.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.367 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.21 -15.06 29.88 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -176.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.4 p -88.51 -34.41 17.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.207 0.527 . . . . 0.0 110.829 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.16 123.87 26.53 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.151 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.0 m -79.07 69.68 5.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.391 0.615 . . . . 0.0 109.839 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.467 ' CD2' HD11 ' A' ' 63' ' ' LEU . 7.6 t60 -94.1 133.37 37.65 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -75.72 -8.26 56.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.036 0.445 . . . . 0.0 111.336 -167.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.467 HD11 ' CD2' ' A' ' 61' ' ' HIS . 9.6 mp -75.21 -15.66 60.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.189 173.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.6 mm -77.06 137.41 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 174.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.426 ' OG ' HG13 ' A' ' 69' ' ' VAL . 13.8 p -97.16 -84.75 0.37 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.711 -174.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -133.65 -76.92 0.48 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.823 0.344 . . . . 0.0 111.906 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -104.77 64.65 0.74 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.125 0.488 . . . . 0.0 112.129 -170.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.69 38.11 61.3 Favored Glycine 0 C--N 1.32 -0.325 0 CA-C-N 115.374 -0.83 . . . . 0.0 114.253 169.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.426 HG13 ' OG ' ' A' ' 65' ' ' SER . 7.8 p -134.93 142.52 40.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.071 0.462 . . . . 0.0 109.862 174.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.0 mt -102.0 133.87 44.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.227 -176.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.2 mm -106.8 122.93 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-O 121.155 0.502 . . . . 0.0 110.957 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.451 ' HB ' HD22 ' A' ' 39' ' ' LEU . 5.2 mp -120.98 132.68 69.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.886 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.423 ' HG2' ' CD1' ' A' ' 20' ' ' ILE . 83.3 mttt -119.1 108.83 15.19 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.801 0.81 . . . . 0.0 110.041 173.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.9 124.65 52.7 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.37 -1.286 . . . . 0.0 111.196 -175.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.505 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 13.1 pt20 -156.59 107.9 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.447 0.641 . . . . 0.0 111.439 178.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -74.34 -62.56 1.48 Allowed 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 167.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -147.72 -58.16 0.25 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.645 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -157.42 -42.87 0.07 Allowed 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.9 m -51.09 113.58 0.96 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.314 0.578 . . . . 0.0 112.066 -174.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -67.8 -42.52 81.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.252 -171.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -59.34 -53.48 57.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.277 -174.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.3 pp -68.73 -35.02 76.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.839 0.352 . . . . 0.0 110.36 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -65.66 -39.03 90.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.549 177.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -65.7 -47.46 75.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.09 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -61.98 -38.16 87.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.444 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.46 -32.14 73.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.467 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.98 -38.5 79.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.484 176.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 76.2 mt -60.72 -50.47 80.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.877 175.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.11 -34.61 76.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.571 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.505 ' O ' HG23 ' A' ' 94' ' ' VAL . 22.8 tpt180 -60.85 -49.18 78.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.974 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.2 pp -64.8 -38.82 92.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.564 -177.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.504 HG11 ' HE3' ' A' ' 96' ' ' LYS . 69.0 t -63.0 -41.06 91.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.068 0.461 . . . . 0.0 110.143 177.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.508 ' HA ' ' HG2' ' A' ' 96' ' ' LYS . . . -65.89 -44.96 83.75 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.61 177.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 90' ' ' ARG . 78.3 t -55.34 -43.45 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.397 . . . . 0.0 110.345 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 91' ' ' LEU . 94.8 mt -59.24 -46.3 92.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.508 ' HG2' ' HA ' ' A' ' 93' ' ' ALA . 15.3 ptpt -75.39 -30.18 60.06 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.293 -0.254 . . . . 0.0 111.681 -177.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.48 -31.74 73.08 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.097 0.475 . . . . 0.0 110.98 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 94' ' ' VAL . 11.0 mp -91.47 -38.01 12.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.229 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.4 p -74.52 -37.44 63.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.427 . . . . 0.0 111.195 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.596 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.612 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--O 1.234 0.254 0 CA-C-O 120.555 0.217 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.6 t -161.94 97.34 1.04 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.233 0.539 . . . . 0.0 110.759 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.23 143.92 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.939 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -163.94 103.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 0.0 111.115 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -155.61 121.79 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.198 176.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.45 HD22 ' O ' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -159.2 133.15 7.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.021 0.438 . . . . 0.0 110.635 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -173.43 158.36 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.48 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 152.32 146.67 4.4 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.664 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -135.63 102.82 5.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.9 m -125.96 122.93 63.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.852 0.358 . . . . 0.0 111.406 -176.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.414 ' HA ' ' HE ' ' A' ' 136' ' ' ARG . 3.2 tpm_? -177.6 118.71 0.1 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.162 177.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -147.32 83.67 7.64 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -96.39 148.41 1.15 Allowed 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.286 2.658 . . . . 0.0 113.757 -177.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 61.9 mt -148.08 135.21 20.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.69 172.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -158.96 100.09 1.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.143 0.496 . . . . 0.0 111.119 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 56.4 tp -139.35 108.24 5.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.639 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.19 124.95 16.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.054 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -147.45 108.3 4.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -121.72 154.61 36.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.897 0.379 . . . . 0.0 110.799 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.767 -174.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ttt . . . . . 0 N--CA 1.483 1.221 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp -106.55 134.1 49.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 0.0 110.835 -177.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.97 116.78 30.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.11 0.481 . . . . 0.0 110.64 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.471 HG21 ' N ' ' A' ' 5' ' ' SER . 30.8 mm -100.13 163.48 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.738 -179.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.472 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 7.1 t -62.63 162.47 10.53 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.496 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 1.6 mmp_? 69.86 28.17 4.35 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 122.472 0.309 . . . . 0.0 110.787 -175.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 t 48.96 31.46 3.28 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.356 1.063 . . . . 0.0 112.444 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -96.22 114.37 32.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.003 176.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -94.13 144.06 25.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.855 0.359 . . . . 0.0 110.332 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.405 HG23 ' HG3' ' A' ' 14' ' ' GLU . 52.0 mt -123.11 152.51 27.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.443 ' HB2' ' HG2' ' A' ' 14' ' ' GLU . . . -62.0 175.23 0.72 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.161 0.505 . . . . 0.0 111.835 -176.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -82.18 -55.35 4.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.534 -168.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -85.2 29.48 0.65 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.391 0.615 . . . . 0.0 110.436 -175.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.443 ' HG2' ' HB2' ' A' ' 11' ' ' ALA . 6.6 mm-40 -84.08 -24.5 30.33 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 121.11 0.481 . . . . 0.0 110.029 175.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.7 mt -73.9 122.9 23.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.051 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -87.04 101.68 13.69 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.533 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.9 mm -87.8 125.07 41.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.976 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p -121.89 138.56 54.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.532 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.56 132.31 40.83 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 176.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.52 HD13 ' HB2' ' A' ' 38' ' ' HIS . 26.6 mt -89.43 139.67 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.964 0.411 . . . . 0.0 110.499 179.831 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 75' ' ' GLN . . . . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.491 HG22 ' HA ' ' A' ' 84' ' ' ARG . 29.5 mm -100.04 127.46 52.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.222 0.534 . . . . 0.0 110.923 -176.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.52 ' HB2' HD13 ' A' ' 20' ' ' ILE . 57.5 t-80 -136.76 131.55 33.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.212 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.455 HD13 ' CD2' ' A' ' 91' ' ' LEU . 2.3 pt? -145.45 150.83 37.22 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.972 -0.455 . . . . 0.0 110.541 176.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -127.65 149.14 50.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.539 -179.687 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -125.48 113.84 18.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.858 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -101.18 151.66 21.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.797 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.433 HD11 ' N ' ' A' ' 43' ' ' ILE . 3.1 mp -70.95 -44.53 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.443 -176.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -76.53 0.74 18.84 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.094 0.474 . . . . 0.0 110.735 -176.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.72 -4.61 56.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.904 0.383 . . . . 0.0 110.268 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 t -155.74 -165.16 1.89 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.79 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -126.15 83.57 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.031 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.9 mt -76.16 154.26 84.45 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 120.541 0.21 . . . . 0.0 111.102 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.68 148.75 87.28 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.853 2.369 . . . . 0.0 111.807 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -56.8 -45.54 82.15 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -174.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.402 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 95.6 m-85 -59.25 -43.5 92.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.978 0.418 . . . . 0.0 111.115 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.403 ' HE1' ' HB2' ' A' ' 98' ' ' LEU . 63.1 t80 -74.97 -46.61 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.718 -177.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -51.96 -50.46 61.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.128 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -65.68 -41.53 92.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.575 -175.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 94.3 mtt180 -66.94 -23.59 65.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.902 -176.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.462 HD21 ' HG ' ' A' ' 98' ' ' LEU . 91.0 mt -63.65 -32.14 73.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.324 . . . . 0.0 110.976 176.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -86.4 -31.65 21.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.045 0.45 . . . . 0.0 110.365 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.8 m -71.63 -43.07 66.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.301 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.73 105.78 17.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.863 0.363 . . . . 0.0 110.412 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.1 t -78.99 67.54 4.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.548 0.69 . . . . 0.0 109.205 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -60.78 137.77 58.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -57.67 -31.65 66.55 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -167.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.464 HD13 HG22 ' A' ' 94' ' ' VAL . 49.8 mt -76.99 -6.97 54.72 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.464 ' CD1' HG12 ' A' ' 70' ' ' ILE . 36.7 mm -81.48 131.41 33.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 168.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.5 ' HB2' HD11 ' A' ' 71' ' ' ILE . 13.6 t -75.43 -71.62 0.35 Allowed 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.671 -0.812 . . . . 0.0 109.995 -174.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -165.26 -42.38 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.993 0.425 . . . . 0.0 110.692 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.64 -3.19 17.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.072 -176.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.83 3.5 45.93 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.365 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 p -102.15 143.99 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -175.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.464 HG12 ' CD1' ' A' ' 64' ' ' ILE . 4.3 mt -88.92 126.28 41.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.242 -177.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.5 HD11 ' HB2' ' A' ' 65' ' ' SER . 1.8 mp -114.42 119.5 61.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.769 0.319 . . . . 0.0 110.706 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.411 HD13 ' N ' ' A' ' 72' ' ' ILE . 4.5 mp -123.68 126.1 72.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.965 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.61 143.81 49.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 175.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.45 135.43 31.99 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.526 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.476 ' O ' ' HG3' ' A' ' 75' ' ' GLN . 19.4 pt20 -157.71 104.08 1.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.131 0.491 . . . . 0.0 110.825 -176.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -111.26 -53.55 2.69 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.157 0.503 . . . . 0.0 110.356 171.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -142.38 -171.84 3.48 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.79 11.88 5.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.852 0.358 . . . . 0.0 111.056 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.2 m -88.68 97.39 11.1 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.401 ' HA ' ' HB2' ' A' ' 83' ' ' ASN . 2.5 mp0 -70.48 -20.19 62.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.136 -174.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -57.73 -53.23 60.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.865 0.364 . . . . 0.0 110.512 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.839 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 4.1 pp -76.74 -32.34 57.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.172 0.51 . . . . 0.0 110.965 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.401 ' HB2' ' HA ' ' A' ' 80' ' ' GLN . 91.9 m-20 -61.33 -45.16 95.57 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.05 175.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.491 ' HA ' HG22 ' A' ' 37' ' ' ILE . 36.8 ttm180 -68.17 -48.4 65.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.693 -178.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.839 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 1.9 pt-20 -57.85 -38.91 76.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 -177.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.571 ' N ' ' HG3' ' A' ' 85' ' ' GLU . . . -67.47 -45.26 76.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.543 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.66 91.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.626 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 79.0 mt -63.95 -51.84 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.934 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.87 -39.69 78.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.802 0.334 . . . . 0.0 111.254 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.518 ' O ' HG23 ' A' ' 94' ' ' VAL . 7.6 mpt_? -63.37 -47.5 81.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.374 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.5 pp -66.38 -38.96 88.73 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.777 -176.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.525 HG13 ' HE2' ' A' ' 96' ' ' LYS . 88.7 t -61.86 -40.2 86.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.27 178.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.84 -46.71 88.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 175.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 90' ' ' ARG . 71.8 t -60.79 -43.03 94.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.055 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 91' ' ' LEU . 65.6 mt -55.66 -34.3 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.547 176.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.525 ' HE2' HG13 ' A' ' 92' ' ' VAL . 52.6 mtmt -81.31 -28.29 34.66 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.73 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.2 -26.36 66.31 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.462 ' HG ' HD21 ' A' ' 56' ' ' LEU . 4.5 mm? -73.33 -17.07 61.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.808 0.337 . . . . 0.0 111.449 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.5 p -115.0 -52.6 2.69 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.042 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 171.74 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.3 m . . . . . 0 N--CA 1.464 0.253 0 CA-C-O 120.607 0.242 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 34.3 p -162.01 135.63 6.39 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.099 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.0 m -137.59 114.62 12.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.049 0.452 . . . . 0.0 111.114 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.866 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -122.24 132.94 54.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.319 178.387 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -150.03 148.38 28.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.059 175.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.9 tp -154.77 162.59 41.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.54 0.209 . . . . 0.0 110.555 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -155.78 -179.95 8.62 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -155.17 174.35 33.35 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.129 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -165.21 139.03 4.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 13.1 p -172.9 153.66 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -154.48 156.81 37.39 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -167.38 87.71 0.76 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.938 0.399 . . . . 0.0 110.571 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -96.18 128.07 0.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.515 2.81 . . . . 0.0 112.675 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 51.4 tp -146.93 131.74 18.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.032 0.444 . . . . 0.0 111.072 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -126.25 159.73 32.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 173.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.36 133.94 41.18 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -79.87 177.81 8.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.123 0.487 . . . . 0.0 111.563 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -148.08 139.83 23.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.085 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -135.11 87.24 2.32 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 174.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.948 -176.888 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.569 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 3.5 mp -82.49 125.07 39.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.113 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.56 115.68 29.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.721 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.673 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 26.7 mm -99.58 164.79 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.439 ' N ' HG21 ' A' ' 4' ' ' ILE . 7.5 t -74.32 -177.24 2.95 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.527 ' HG2' HG21 ' A' ' 7' ' ' THR . 22.8 ttt180 67.65 -77.27 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.19 0.596 . . . . 0.0 110.92 -178.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.527 HG21 ' HG2' ' A' ' 6' ' ' ARG . 15.0 t -174.19 19.68 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.034 0.445 . . . . 0.0 111.057 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.673 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 18.4 t -99.57 144.99 11.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 122.198 -0.314 . . . . 0.0 110.828 -173.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -148.25 149.65 32.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.043 0.449 . . . . 0.0 110.349 176.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.569 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.1 mp -124.48 127.92 73.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.743 -178.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.539 ' HB2' ' HG2' ' A' ' 14' ' ' GLU . . . -68.87 155.56 40.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.993 0.425 . . . . 0.0 110.947 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.46 -29.86 71.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.193 -174.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -86.78 -6.8 58.71 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.72 -174.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.539 ' HG2' ' HB2' ' A' ' 11' ' ' ALA . 12.7 mm-40 -75.14 -41.75 57.68 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 120.975 0.417 . . . . 0.0 110.727 -177.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.8 mt -85.33 143.67 28.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.757 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.53 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 45.7 mt-10 -83.0 112.18 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.241 178.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.7 mm -96.95 112.31 28.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 172.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.09 144.67 48.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.296 0.57 . . . . 0.0 112.1 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.5 127.69 33.56 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' A' ' 36' ' ' ALA . 3.9 mp -67.44 113.17 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.825 0.345 . . . . 0.0 110.157 -176.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 21' ' ' ARG . 4.2 tpt180 . . . . . 0 C--N 1.319 -0.738 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 176.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.538 ' CB ' ' HB3' ' A' ' 75' ' ' GLN . . . . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 120.848 0.356 . . . . 0.0 111.41 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.5 mm -113.0 121.81 65.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.522 177.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -112.74 127.13 56.06 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.605 HD23 ' HB ' ' A' ' 72' ' ' ILE . 2.5 pt? -136.78 149.2 47.66 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.877 0.37 . . . . 0.0 111.136 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -102.71 114.45 28.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.088 174.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.519 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 49.3 t80 -96.94 100.84 12.35 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 170.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -106.47 118.64 37.17 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.076 -170.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.4 mt -70.2 -44.17 78.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.951 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -59.39 -38.7 81.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.172 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.24 -15.89 58.35 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -177.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 p -107.93 176.35 5.17 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.286 0.565 . . . . 0.0 110.934 -177.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.52 56.83 0.5 Allowed Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.654 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.23 148.54 91.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.929 -0.136 . . . . 0.0 110.859 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.61 145.39 97.7 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.674 2.25 . . . . 0.0 111.376 176.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.86 -33.16 73.69 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -174.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -62.35 -33.67 75.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 111.205 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -79.0 -42.76 25.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.151 0.5 . . . . 0.0 109.927 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.95 -46.37 89.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.446 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.405 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 18.0 mm-40 -61.6 -43.16 99.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.673 -177.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -60.22 -39.19 85.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.613 0.244 . . . . 0.0 111.424 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.503 HD22 ' HG ' ' A' ' 98' ' ' LEU . 95.3 mt -71.63 -28.63 63.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.482 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.4 mt -90.06 -26.64 20.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.744 -177.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.0 p -80.19 -48.53 12.99 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.231 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.16 111.6 15.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.627 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 m -77.22 76.76 3.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.27 0.557 . . . . 0.0 110.828 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.6 134.99 33.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.197 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -61.42 -12.46 14.59 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -175.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.38 -21.88 62.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.818 0.342 . . . . 0.0 110.451 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.59 HD12 HG12 ' A' ' 70' ' ' ILE . 36.1 mm -79.64 134.39 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 174.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.422 ' OG ' HD11 ' A' ' 71' ' ' ILE . 22.5 m -78.24 -79.26 0.13 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.21 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -153.43 -54.28 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.671 0.272 . . . . 0.0 111.508 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -79.6 -15.76 57.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.185 0.516 . . . . 0.0 111.32 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 120.42 16.92 4.53 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.124 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.96 144.22 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.59 HG12 HD12 ' A' ' 64' ' ' ILE . 42.0 mt -103.7 122.41 56.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.422 HD11 ' OG ' ' A' ' 65' ' ' SER . 1.7 mp -108.34 120.82 60.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.29 0.567 . . . . 0.0 110.46 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.605 ' HB ' HD23 ' A' ' 39' ' ' LEU . 4.9 mp -113.55 131.48 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.806 178.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -119.33 99.87 6.96 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.9 125.92 50.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.791 -175.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.538 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 10.2 pt20 -154.76 104.44 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.811 -178.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -117.62 -38.66 3.25 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.206 175.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.429 ' HB3' HD22 ' A' ' 82' ' ' LEU . 13.0 t80 -147.24 176.21 10.16 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -176.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -66.93 -21.46 65.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 111.039 176.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.426 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 14.1 m -73.02 104.94 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.47 -20.17 66.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.191 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -59.91 -53.5 57.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.087 0.47 . . . . 0.0 110.903 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.429 HD22 ' HB3' ' A' ' 77' ' ' PHE . 4.2 pp -72.33 -34.63 68.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.432 -178.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -61.92 -39.52 92.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.293 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.2 tpp180 -61.37 -51.55 68.34 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.752 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -57.14 -46.09 83.0 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.42 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' A' ' 90' ' ' ARG . . . -60.85 -42.0 96.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.482 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.4 83.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.842 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.642 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 74.9 mt -66.86 -49.12 77.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.727 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.79 73.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.83 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.6 ' O ' HG22 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -65.04 -44.16 89.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.16 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.3 pp -69.51 -34.85 74.88 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -178.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.515 ' HA ' HD12 ' A' ' 95' ' ' ILE . 66.6 t -65.6 -39.06 83.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.084 176.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.439 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -63.22 -38.37 90.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 175.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 90' ' ' ARG . 89.4 t -60.65 -41.74 89.25 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.079 175.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 92' ' ' VAL . 84.5 mt -55.15 -46.74 77.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.026 176.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -64.32 -43.81 93.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.941 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.553 ' CG ' ' HA ' ' A' ' 94' ' ' VAL . 9.0 pt-20 -74.46 -27.64 60.68 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.876 -176.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.503 ' HG ' HD22 ' A' ' 56' ' ' LEU . 4.0 mm? -82.81 -30.42 28.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.5 p -92.69 4.98 52.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.101 0.477 . . . . 0.0 110.817 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.499 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.409 178.099 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.662 0.268 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.6 t -147.08 99.93 3.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.652 0.263 . . . . 0.0 110.837 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.2 88.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.069 0.461 . . . . 0.0 111.269 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -164.67 120.95 1.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -149.21 158.97 44.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.489 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.5 pp -158.41 128.57 6.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.168 0.509 . . . . 0.0 110.881 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -137.48 132.64 33.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.317 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 161.77 107.28 0.22 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 119.689 -1.243 . . . . 0.0 113.836 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -142.78 132.83 24.38 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 173.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.1 m -102.41 163.58 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.073 0.463 . . . . 0.0 111.843 -173.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.466 ' HA ' ' NE ' ' A' ' 136' ' ' ARG . 3.5 mmp_? -120.53 130.67 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.936 177.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -116.1 97.88 50.26 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -86.16 137.86 5.47 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 123.436 2.757 . . . . 0.0 112.474 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.8 mp -112.23 153.14 27.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.125 0.488 . . . . 0.0 110.762 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -116.49 130.89 57.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.26 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 5.7 tt -157.92 114.69 2.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.999 0.428 . . . . 0.0 110.949 -176.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -156.04 112.78 3.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.729 169.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -89.99 84.27 6.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -81.51 107.6 14.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.17 -175.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 120.977 0.418 . . . . 0.0 111.071 -175.562 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.0 ttp . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.571 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 34.6 mm -76.04 111.67 12.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.899 0.38 . . . . 0.0 110.3 -177.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.2 114.87 27.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.628 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 5' ' ' SER . 29.3 mm -99.52 160.98 3.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 8.4 t -64.03 147.79 51.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 5' ' ' SER . 0.1 OUTLIER 67.06 -167.08 0.21 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.455 -173.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 t -81.37 47.52 1.05 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.474 0.654 . . . . 0.0 111.514 -175.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.1 t -122.02 135.68 61.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.1 m -152.46 158.57 42.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.539 0.209 . . . . 0.0 110.687 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.571 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 40.3 mt -121.08 125.97 74.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.105 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.504 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -72.37 162.27 29.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.118 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -62.28 -44.13 97.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.299 -175.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -72.98 -15.99 61.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.504 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 14.0 mm-40 -80.16 -12.86 59.61 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 121.165 0.507 . . . . 0.0 110.768 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.469 HD22 HG13 ' A' ' 2' ' ' ILE . 96.8 mt -84.5 129.3 34.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.642 179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -85.32 94.99 9.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.009 0.433 . . . . 0.0 109.914 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.8 mm -95.15 123.92 47.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.932 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.88 147.72 46.63 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.8 137.99 31.88 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.555 ' HB ' ' HB2' ' A' ' 36' ' ' ALA . 50.6 mt -81.69 108.99 15.37 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 CA-C-O 120.996 0.427 . . . . 0.0 110.259 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 . . . . . 0 C--N 1.316 -0.852 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.525 179.195 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.555 ' HB2' ' HB ' ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.518 HD12 ' HB3' ' A' ' 80' ' ' GLN . 44.6 mm -100.57 131.44 48.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.81 0.338 . . . . 0.0 111.49 -174.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.458 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 52.2 t-80 -138.52 119.29 14.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.937 176.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -129.28 149.84 50.91 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.556 ' HG3' HG13 ' A' ' 71' ' ' ILE . 35.4 ttp180 -132.33 151.78 51.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.143 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.422 ' HB3' HD12 ' A' ' 70' ' ' ILE . 88.1 t80 -151.58 129.74 11.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.944 0.402 . . . . 0.0 110.699 177.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -105.46 138.26 41.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.05 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.567 HG21 ' HB2' ' A' ' 48' ' ' LEU . 2.3 mp -63.14 -43.77 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.893 -178.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -29.36 70.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.437 -177.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.74 -45.68 91.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.1 m -102.31 -2.1 29.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -177.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.23 68.98 1.42 Allowed Glycine 0 C--N 1.319 -0.394 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.658 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.567 ' HB2' HG21 ' A' ' 43' ' ' ILE . 89.0 mt -75.37 149.11 84.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.606 0.241 . . . . 0.0 110.667 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.23 159.28 27.17 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.887 2.392 . . . . 0.0 112.302 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -66.28 -34.21 77.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.713 -176.333 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -56.49 -35.9 68.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.01 0.433 . . . . 0.0 110.89 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.46 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 88.3 m-85 -81.54 -50.14 9.73 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.215 176.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -55.0 -46.95 75.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.122 -174.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.4 mm100 -63.5 -40.63 97.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.569 0.223 . . . . 0.0 111.286 -176.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.415 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 79.6 mtt180 -74.98 -31.44 61.44 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.141 -0.224 . . . . 0.0 111.443 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.5 HD22 HD22 ' A' ' 98' ' ' LEU . 96.2 mt -67.32 -29.42 68.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.767 0.318 . . . . 0.0 110.862 177.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.7 mt -89.41 -28.47 19.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.562 -178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.415 ' OG1' ' HA ' ' A' ' 55' ' ' ARG . 11.9 p -80.79 -37.8 29.62 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.758 0.313 . . . . 0.0 111.382 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.08 88.44 6.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 120.94 0.4 . . . . 0.0 110.021 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -69.44 91.33 0.56 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.049 -177.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.34 152.11 24.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.21 173.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -78.63 -16.22 57.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.369 0.604 . . . . 0.0 109.665 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.6 mt -67.91 -20.03 65.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.152 170.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.498 HD11 HG22 ' A' ' 70' ' ' ILE . 13.7 mm -88.01 126.15 41.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.524 ' HB2' HD11 ' A' ' 71' ' ' ILE . 21.0 t -68.6 -77.78 0.07 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.663 -174.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -174.03 -44.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.742 0.306 . . . . 0.0 110.882 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -82.4 35.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.616 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.33 32.56 75.98 Favored Glycine 0 C--O 1.227 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 113.12 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.0 p -131.48 144.63 36.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.498 HG22 HD11 ' A' ' 64' ' ' ILE . 27.6 pt -101.05 138.62 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 -177.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.556 HG13 ' HG3' ' A' ' 40' ' ' ARG . 2.7 mp -132.83 120.3 40.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.913 0.387 . . . . 0.0 110.047 177.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.28 125.41 74.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.095 0.474 . . . . 0.0 110.201 175.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.542 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -119.51 150.82 39.61 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 171.492 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.08 155.79 34.69 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.308 0.575 . . . . 0.0 112.273 -174.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' A' ' 75' ' ' GLN . 2.4 pt20 -153.94 101.67 2.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.715 173.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -108.48 -36.75 6.14 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.84 -177.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -170.86 164.99 7.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -174.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 78' ' ' ARG . 7.6 mmt180 -66.99 -1.88 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 m -91.96 90.6 7.49 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 171.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.518 ' HB3' HD12 ' A' ' 37' ' ' ILE . 24.7 mp0 -64.06 -25.3 68.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.846 -174.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.58 -47.06 83.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.122 0.487 . . . . 0.0 110.441 176.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -35.1 77.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.986 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.537 ' N ' HD21 ' A' ' 83' ' ' ASN . 0.8 OUTLIER -67.61 -36.69 81.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.182 0.515 . . . . 0.0 109.845 179.632 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -63.0 -49.57 74.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.043 177.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -56.59 -42.7 79.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.34 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.16 98.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.26 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.94 96.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.753 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.609 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 93.6 mt -65.12 -51.0 71.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.825 177.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.81 -36.61 72.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.494 ' O ' HG22 ' A' ' 94' ' ' VAL . 23.7 tpt180 -57.44 -52.07 66.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.096 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.1 pp -67.07 -38.74 86.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.864 -175.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.3 t -62.57 -44.07 99.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.524 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -61.69 -45.7 92.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 90' ' ' ARG . 82.7 t -57.11 -46.08 84.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.093 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 91' ' ' LEU . 84.6 mt -58.6 -45.88 90.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.817 0.341 . . . . 0.0 110.553 178.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -69.52 -19.89 63.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.786 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 8.5 mm-40 -75.93 -48.95 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.034 0.445 . . . . 0.0 110.467 176.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.5 HD22 HD22 ' A' ' 56' ' ' LEU . 11.1 mp -71.21 -40.81 70.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.166 -177.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.8 p -108.63 42.11 1.46 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.042 0.449 . . . . 0.0 111.212 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.813 177.076 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.9 t . . . . . 0 C--O 1.234 0.275 0 CA-C-O 120.991 0.424 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 32.2 m -143.49 108.07 4.85 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 4.8 p -131.82 88.93 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 122.145 0.974 . . . . 0.0 111.832 -176.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -138.77 91.71 2.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.881 174.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -122.8 128.35 50.32 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.22 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -132.36 147.0 52.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.996 0.427 . . . . 0.0 110.337 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.725 ' HA ' ' HE ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -118.94 141.13 48.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.214 -179.024 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -110.36 -159.47 17.11 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.034 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.533 ' O ' ' HD2' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -149.61 127.26 11.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.262 0.554 . . . . 0.0 110.772 177.526 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 42.2 t -101.35 85.48 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.451 0.644 . . . . 0.0 110.086 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -162.07 111.79 1.52 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.385 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -149.29 89.71 4.78 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.327 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -92.64 157.61 2.91 Favored 'Trans proline' 0 N--CA 1.448 -1.173 0 C-N-CA 123.195 2.596 . . . . 0.0 111.683 174.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.8 mp -98.44 126.58 44.03 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -72.26 137.29 46.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.98 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 5.4 tt -78.3 95.9 5.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.19 0.519 . . . . 0.0 109.856 -177.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -99.28 94.22 6.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.007 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -135.56 104.0 5.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.181 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -65.47 171.72 3.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.233 176.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 63.9 m80 . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 121.122 0.487 . . . . 0.0 112.152 -175.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptm . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.519 HD13 HD13 ' A' ' 15' ' ' LEU . 4.4 mp -91.99 122.03 43.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.988 -176.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.54 108.07 20.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.677 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.485 ' HB ' ' O ' ' A' ' 8' ' ' VAL . 42.1 mm -95.8 159.87 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.436 ' N ' HG22 ' A' ' 4' ' ' ILE . 16.7 m -65.91 -178.99 0.65 Allowed 'General case' 0 C--O 1.239 0.545 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -175.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 69.91 -76.91 0.06 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.019 -177.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.6 t -178.55 24.27 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.946 0.403 . . . . 0.0 110.798 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.485 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 44.5 t -116.76 117.26 54.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.613 0.244 . . . . 0.0 110.949 -174.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 m -115.39 150.47 36.32 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 174.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.63 130.28 74.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.97 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.458 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -68.18 129.67 40.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.513 178.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -75.94 -13.19 60.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.252 0.549 . . . . 0.0 110.393 -178.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -74.8 -12.42 60.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.39 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.458 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 19.3 mm-40 -87.55 -9.65 53.82 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.353 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.519 HD13 HD13 ' A' ' 2' ' ' ILE . 85.5 mt -77.07 143.75 39.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.188 0.518 . . . . 0.0 111.79 -173.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.642 ' HB2' ' HB2' ' A' ' 40' ' ' ARG . 45.9 mt-10 -91.47 109.02 20.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.252 175.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.8 mm -89.95 127.91 42.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.08 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.13 147.51 50.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.281 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.06 149.15 21.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.084 177.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.3 mm -87.41 127.02 41.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.107 0.479 . . . . 0.0 110.452 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.003 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 75' ' ' GLN . . . . . . . . 0 N--CA 1.449 -0.51 0 CA-C-O 120.861 0.362 . . . . 0.0 111.428 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.478 HD13 ' HG3' ' A' ' 80' ' ' GLN . 25.7 mm -100.61 120.45 50.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.656 176.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -118.15 107.44 13.97 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.458 174.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.545 HD23 ' HB ' ' A' ' 72' ' ' ILE . 2.7 pt? -112.09 149.44 32.11 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.469 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.642 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 79.0 mtp180 -108.14 114.82 29.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.615 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -115.32 101.57 9.06 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 173.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.456 ' HB3' HG23 ' A' ' 69' ' ' VAL . 7.7 p-10 -110.33 140.87 44.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.791 0.805 . . . . 0.0 111.954 -173.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.783 HG13 HD13 ' A' ' 48' ' ' LEU . 2.5 mp -73.68 -40.62 54.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.166 178.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -44.27 -48.22 9.46 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.954 -175.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.43 -20.27 28.42 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -176.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 p -94.94 178.81 5.44 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 121.149 0.5 . . . . 0.0 111.063 -174.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.05 60.2 0.56 Allowed Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.675 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.783 HD13 HG13 ' A' ' 43' ' ' ILE . 92.5 mt -76.25 147.39 79.5 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-O 120.545 0.212 . . . . 0.0 110.516 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -56.43 131.49 46.07 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.888 2.392 . . . . 0.0 111.564 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.543 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 44.0 tt0 -63.38 -30.97 72.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.413 -173.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -57.68 -40.21 78.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.624 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.437 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 5.4 m-85 -81.0 -38.25 27.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.157 0.503 . . . . 0.0 110.001 176.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.543 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 87.7 tttt -54.97 -48.29 73.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.556 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.423 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 16.0 mm-40 -61.87 -42.7 99.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.366 -178.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -59.67 -43.0 94.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.989 177.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.483 ' HA ' HD22 ' A' ' 98' ' ' LEU . 83.4 mt -63.23 -39.38 94.45 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.044 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.0 mt -78.27 -14.93 59.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.609 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.8 m -92.42 -49.26 6.23 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.529 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.433 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . . . -97.5 96.4 8.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.953 0.406 . . . . 0.0 111.723 -175.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.4 t -77.89 79.31 4.37 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 173.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.477 ' O ' ' HB2' ' A' ' 62' ' ' HIS . 2.8 t60 -64.14 -43.83 94.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.874 -176.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.477 ' HB2' ' O ' ' A' ' 61' ' ' HIS . 66.6 t60 173.56 -40.72 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.862 0.726 . . . . 0.0 110.391 174.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.413 HD11 HG13 ' A' ' 72' ' ' ILE . 82.8 mt -78.16 -13.89 59.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.746 -176.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.1 mm -84.25 125.23 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -86.69 -85.02 0.17 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.095 -178.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -161.07 -54.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.578 0.228 . . . . 0.0 111.027 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -61.75 -15.94 45.26 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.344 -174.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.59 39.83 2.31 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -173.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.456 HG23 ' HB3' ' A' ' 42' ' ' ASP . 7.1 p -128.87 143.38 41.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 43.3 mt -105.99 118.45 53.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.915 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.9 mp -106.12 117.73 52.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.121 0.486 . . . . 0.0 110.419 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.545 ' HB ' HD23 ' A' ' 39' ' ' LEU . 4.5 mp -114.39 125.26 71.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 37' ' ' ILE . 6.1 ptmm? -119.34 129.73 55.0 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -126.28 123.5 38.23 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.347 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 3.1 pt20 -157.2 102.22 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -144.63 -43.84 0.24 Allowed 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.423 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -128.34 173.17 10.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.359 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.839 ' HG2' ' H ' ' A' ' 79' ' ' SER . 16.9 ttp180 -90.93 -164.4 1.17 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.839 ' H ' ' HG2' ' A' ' 78' ' ' ARG . 23.8 m 68.44 82.33 0.17 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.434 0.635 . . . . 0.0 109.965 -176.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.478 ' HG3' HD13 ' A' ' 37' ' ' ILE . 1.3 mp0 -59.4 -16.33 22.4 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.804 -172.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -56.79 -50.16 73.17 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 120.864 0.364 . . . . 0.0 110.719 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 79' ' ' SER . 4.0 pp -76.47 -34.47 58.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.332 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -57.44 -41.92 81.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.417 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -61.88 -52.45 64.05 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.3 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -60.7 -41.87 96.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.782 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.455 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -62.47 -38.98 91.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.031 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.85 99.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.975 0.417 . . . . 0.0 110.384 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.639 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 76.9 mt -64.09 -47.95 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.591 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.79 -39.25 77.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 6.2 mpt_? -59.69 -48.37 81.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.747 177.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.8 pp -69.55 -34.86 74.81 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.784 -176.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 88' ' ' ILE . 93.7 t -62.04 -44.48 99.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.935 178.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.84 96.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.59 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.94 -39.42 80.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.961 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 91' ' ' LEU . 83.5 mt -57.2 -41.18 77.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.688 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -67.54 -32.68 73.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.314 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.5 -34.19 73.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.841 0.353 . . . . 0.0 111.455 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.483 HD22 ' HA ' ' A' ' 56' ' ' LEU . 11.3 mp -89.49 -8.34 53.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.913 -176.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.9 p -102.0 -56.26 2.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.012 0.434 . . . . 0.0 110.625 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.501 176.462 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.733 0.301 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.5 m -152.61 97.12 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.14 114.13 2.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.139 0.495 . . . . 0.0 111.622 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -153.2 136.11 15.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.796 176.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -154.33 155.08 34.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.664 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.7 pp -158.99 165.67 33.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.71 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -171.8 144.86 1.84 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.767 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.38 127.7 1.69 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.068 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -149.14 133.86 17.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.712 0.256 . . . . 0.0 110.639 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 6.6 p -153.0 123.85 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.984 0.421 . . . . 0.0 110.773 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -132.35 178.2 7.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.021 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -146.62 150.01 38.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.051 -178.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.67 -171.44 0.32 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.966 2.444 . . . . 0.0 111.867 175.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 40.6 tp -141.09 118.58 11.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.892 0.377 . . . . 0.0 111.343 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -88.98 121.38 31.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.723 175.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.8 mt -128.61 164.92 21.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.855 0.359 . . . . 0.0 111.19 -176.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.84 168.38 13.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.677 174.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -160.57 117.56 2.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.139 0.495 . . . . 0.0 110.448 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -74.54 144.24 44.14 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.987 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 7.1 p80 . . . . . 0 C--N 1.319 -0.724 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 175.925 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.536 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 3.7 mp -92.84 97.07 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.42 102.67 14.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.138 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.556 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 18.4 mm -84.17 154.6 3.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 176.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -72.27 168.09 19.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.11 0.481 . . . . 0.0 111.146 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.442 ' HG2' HG21 ' A' ' 7' ' ' THR . 40.4 ttm180 69.7 -76.17 0.06 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.679 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.442 HG21 ' HG2' ' A' ' 6' ' ' ARG . 11.1 t -161.57 20.02 0.11 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -170.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.556 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 22.3 t -120.3 145.76 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 121.833 -0.542 . . . . 0.0 110.514 -177.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.497 ' HG ' ' C ' ' A' ' 8' ' ' VAL . 13.9 m -154.54 151.73 29.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 173.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 mp -126.07 139.34 51.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 146.53 53.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.191 0.52 . . . . 0.0 111.429 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.53 -43.02 99.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.922 -171.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -87.38 10.33 17.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.874 0.368 . . . . 0.0 111.572 -173.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -89.61 -0.45 57.53 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 120.778 0.323 . . . . 0.0 111.215 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.9 mt -80.78 145.72 31.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -93.4 114.27 26.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.187 174.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -109.86 114.85 48.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.115 -176.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.89 149.74 31.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.059 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.2 150.55 20.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.158 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.8 mt -104.31 129.6 56.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.768 0.318 . . . . 0.0 110.351 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.4 -177.812 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.658 0 CA-C-O 121.033 0.444 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.482 HD12 ' HB3' ' A' ' 80' ' ' GLN . 46.9 mm -100.33 129.54 50.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.398 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -118.87 112.39 19.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.005 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.445 HD22 ' HB2' ' A' ' 87' ' ' ALA . 2.1 pt? -125.63 149.91 48.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.943 0.401 . . . . 0.0 110.679 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -127.12 140.27 52.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.027 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -134.68 112.75 11.04 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.5 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.475 ' HB3' HG22 ' A' ' 69' ' ' VAL . 5.9 p-10 -112.02 162.07 15.78 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.967 0.413 . . . . 0.0 110.76 -178.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 68' ' ' GLY . 35.1 mt -56.22 -44.47 79.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.508 -179.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -68.34 -13.25 62.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.835 -173.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.74 -5.39 55.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.954 0.407 . . . . 0.0 111.4 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -155.67 -163.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.276 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.52 61.17 0.56 Allowed Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 86.0 mt -66.59 143.91 98.38 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.598 0.237 . . . . 0.0 110.941 -176.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 24.9 Cg_exo -62.96 143.35 90.97 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.484 2.123 . . . . 0.0 111.561 177.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.431 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 13.8 pt-20 -59.66 -29.25 67.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.363 -176.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.473 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 89.5 m-85 -62.32 -34.22 76.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.79 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.56 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 25.8 m-85 -81.57 -42.79 19.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.708 176.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.431 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 12.1 tmtt? -56.83 -43.56 81.19 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.716 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -63.95 -45.89 87.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.714 0.292 . . . . 0.0 111.264 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.505 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 72.7 mtt180 -66.54 -24.71 66.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.672 -177.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 52' ' ' TYR . 95.5 mt -61.01 -31.52 71.13 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.021 0.439 . . . . 0.0 111.059 177.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -91.35 -22.3 20.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.375 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.505 ' OG1' ' HA ' ' A' ' 55' ' ' ARG . 34.7 p -86.78 -39.3 16.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.74 0.305 . . . . 0.0 111.441 -177.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.52 ' HB1' ' HG ' ' A' ' 98' ' ' LEU . . . -95.9 87.65 4.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.984 0.421 . . . . 0.0 110.933 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 m -60.73 130.96 49.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.507 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.7 158.71 43.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.419 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -69.22 0.44 4.85 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.811 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.463 HD12 HG21 ' A' ' 94' ' ' VAL . 93.2 mt -104.75 -8.3 18.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.061 0.458 . . . . 0.0 110.846 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.3 mm -89.59 134.69 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.346 -178.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.408 ' OG ' HD12 ' A' ' 71' ' ' ILE . 28.0 m -90.8 -63.76 1.22 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.65 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -158.77 -75.72 0.08 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -177.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -99.47 60.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.304 0.573 . . . . 0.0 111.708 -169.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.432 ' O ' HG13 ' A' ' 43' ' ' ILE . . . 72.41 38.59 58.1 Favored Glycine 0 C--N 1.322 -0.202 0 CA-C-N 115.393 -0.821 . . . . 0.0 113.667 171.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.475 HG22 ' HB3' ' A' ' 42' ' ' ASP . 9.0 p -120.96 142.29 37.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 173.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.408 ' N ' HD11 ' A' ' 70' ' ' ILE . 4.5 mp -112.41 117.4 55.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.979 -178.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.408 HD12 ' OG ' ' A' ' 65' ' ' SER . 1.8 mp -107.91 121.21 60.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.856 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.1 mp -115.36 131.81 66.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -119.58 131.46 55.52 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 171.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.706 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . . . -115.7 133.01 56.46 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.37 -176.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -153.57 104.12 2.7 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.659 0.742 . . . . 0.0 109.588 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.51 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 40.1 tt0 -112.11 -79.18 0.58 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.846 178.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.51 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 68.0 m-85 -120.23 -84.86 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.422 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -154.49 4.81 0.25 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.696 -176.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 m -98.23 97.23 8.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.856 0.36 . . . . 0.0 110.783 -176.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.482 ' HB3' HD12 ' A' ' 37' ' ' ILE . 26.0 mp0 -56.31 -41.93 76.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.772 -175.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 44.2 tt0 -59.03 -55.26 37.47 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -175.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 pp -72.05 -31.02 65.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.769 0.318 . . . . 0.0 110.279 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.64 -41.03 98.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.929 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -60.04 -54.51 45.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.464 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 81' ' ' GLU . 16.9 mm-40 -57.69 -38.77 75.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.408 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.51 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -65.37 -39.37 92.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.889 177.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.706 ' HB1' ' HB2' ' A' ' 74' ' ' ALA . . . -62.7 -37.21 85.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.97 0.414 . . . . 0.0 110.376 177.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.661 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 74.7 mt -64.47 -48.61 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.181 175.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.33 -34.8 74.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 177.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.51 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 7.6 mpt_? -58.32 -50.93 71.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.319 176.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 4.0 pp -68.05 -34.13 75.88 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.463 -176.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 88' ' ' ILE . 85.2 t -60.15 -44.38 95.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.697 175.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -63.95 -39.66 94.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.643 178.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.463 HG21 HD12 ' A' ' 63' ' ' LEU . 71.2 t -60.66 -41.82 89.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.502 177.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 91' ' ' LEU . 91.4 mt -55.42 -41.65 63.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.716 176.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -71.15 -28.62 64.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.18 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 93' ' ' ALA . 87.3 mt-10 -70.24 -37.79 75.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.989 0.423 . . . . 0.0 110.573 177.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.52 ' HG ' ' HB1' ' A' ' 59' ' ' ALA . 11.1 mp -80.01 -38.43 32.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.245 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -89.83 18.57 5.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.465 0.65 . . . . 0.0 110.679 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.579 -178.734 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 61.0 m . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.765 0.316 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.1 m -164.21 95.51 0.76 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.208 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 5.8 p -159.28 86.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.789 0.804 . . . . 0.0 111.513 177.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -159.91 114.12 2.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.782 173.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -171.66 89.12 0.11 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.325 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.3 tp -144.45 87.79 1.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.143 0.497 . . . . 0.0 111.29 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -162.41 98.41 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.572 171.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -158.53 124.07 1.34 Allowed Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -152.18 141.77 21.77 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 26.9 m -70.95 137.1 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.692 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.673 ' HD2' ' O ' ' A' ' 136' ' ' ARG . 1.5 ppt_? -154.69 133.0 11.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.612 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -171.95 117.6 0.42 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.988 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -85.94 149.75 9.62 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.625 2.217 . . . . 0.0 111.673 174.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.6 mp -121.1 105.27 10.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.09 0.471 . . . . 0.0 110.897 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -97.99 7.19 46.72 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.46 103.08 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.403 -176.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -167.17 111.42 0.72 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.502 175.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -118.83 100.19 7.24 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.629 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -72.93 83.27 1.22 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.309 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 38.2 t60 . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.916 -175.647 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.5 ttp . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 57.7 mt -81.85 119.96 32.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.271 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.42 122.66 32.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.873 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.67 ' HB ' HG11 ' A' ' 8' ' ' VAL . 24.2 mm -101.21 166.43 2.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.534 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 42.2 m -55.48 148.6 15.13 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 5' ' ' SER . 8.5 mpt_? 71.05 -164.49 0.14 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -167.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.422 ' H ' ' HB3' ' A' ' 6' ' ' ARG . 5.9 t -90.45 5.16 48.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.849 0.356 . . . . 0.0 111.714 -176.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.67 HG11 ' HB ' ' A' ' 4' ' ' ILE . 9.1 p -78.48 144.75 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.014 0.435 . . . . 0.0 110.719 -178.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -147.12 155.9 42.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.762 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.0 mt -125.69 135.39 64.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.162 -178.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.516 ' HB1' ' HG3' ' A' ' 14' ' ' GLU . . . -81.6 136.84 35.55 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.267 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -66.9 -20.04 65.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.084 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -71.75 -23.11 61.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.447 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.516 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 46.3 mt-10 -78.08 -16.14 58.28 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.032 -179.045 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -83.04 124.43 30.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.096 0.474 . . . . 0.0 111.031 -177.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -83.1 103.62 12.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.462 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 35.5 mm -98.16 130.42 46.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.198 -177.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.84 149.89 50.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 -178.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.27 129.71 44.55 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.544 HD13 ' HB2' ' A' ' 38' ' ' HIS . 36.9 mt -104.45 126.45 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.066 169.184 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mm -99.15 127.01 52.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-O 121.071 0.462 . . . . 0.0 110.633 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.544 ' HB2' HD13 ' A' ' 20' ' ' ILE . 45.1 t-80 -103.62 125.57 50.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.073 177.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.665 HD23 ' HB ' ' A' ' 72' ' ' ILE . 2.5 pt? -132.5 144.77 50.67 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.485 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 39.2 ptt85 -138.7 154.61 48.59 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.963 178.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -152.56 118.49 5.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.725 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.98 81.43 8.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.729 0.775 . . . . 0.0 110.756 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.563 HG22 ' HB2' ' A' ' 48' ' ' LEU . 54.6 mt -56.01 -42.45 71.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.964 178.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.573 ' HB2' ' HA3' ' A' ' 68' ' ' GLY . 41.0 ttt85 -56.48 -24.85 48.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.26 178.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.0 -54.17 3.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.652 0.263 . . . . 0.0 111.345 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -143.19 149.46 38.03 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-O 120.681 0.277 . . . . 0.0 111.518 -175.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.39 -95.42 0.58 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.896 -0.668 . . . . 0.0 114.318 167.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.563 ' HB2' HG22 ' A' ' 43' ' ' ILE . 95.4 mt -75.89 155.39 84.86 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -171.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.518 ' HD3' HG22 ' A' ' 8' ' ' VAL . 31.3 Cg_exo -60.76 153.18 64.36 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.97 2.447 . . . . 0.0 111.718 176.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.534 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 43.9 mt-10 -68.84 -18.81 64.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.88 -174.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.417 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 44.6 m-85 -57.97 -53.47 57.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.791 0.329 . . . . 0.0 110.281 173.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.528 ' HH ' HG21 ' A' ' 99' ' ' THR . 54.5 m-85 -65.11 -45.02 86.86 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.492 175.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.534 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 39.6 ttmt -51.06 -52.3 44.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.967 -176.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -61.7 -41.78 98.06 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -176.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 22.7 mmt180 -67.76 -32.23 72.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.713 0.292 . . . . 0.0 111.199 -178.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.475 HD22 ' HG ' ' A' ' 98' ' ' LEU . 66.0 mt -66.08 -34.46 78.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.96 -44.21 15.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.6 p -66.92 -37.52 84.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.377 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.39 83.41 2.82 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 174.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.7 m -69.59 92.12 0.63 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.634 0.73 . . . . 0.0 110.305 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.423 ' C ' ' H ' ' A' ' 63' ' ' LEU . 1.9 t60 -85.12 15.31 4.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.616 -175.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.0 t60 71.9 -33.99 0.29 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.968 0.907 . . . . 0.0 111.65 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.423 ' H ' ' C ' ' A' ' 61' ' ' HIS . 92.7 mt -63.37 -25.4 68.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.275 0.559 . . . . 0.0 110.376 174.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.0 mm -75.09 124.71 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 169.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.442 ' HB2' HG11 ' A' ' 69' ' ' VAL . 16.1 m -74.79 -64.21 1.09 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -168.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -149.25 -81.64 0.12 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.88 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -105.39 61.73 0.68 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.553 0.692 . . . . 0.0 110.878 -172.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.573 ' HA3' ' HB2' ' A' ' 44' ' ' ARG . . . 75.37 31.53 56.82 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.241 -0.891 . . . . 0.0 113.481 174.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.442 HG11 ' HB2' ' A' ' 65' ' ' SER . 12.0 p -125.59 144.07 36.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 33.3 pt -109.54 129.69 63.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.905 0.383 . . . . 0.0 111.135 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mp -122.98 117.04 50.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.665 ' HB ' HD23 ' A' ' 39' ' ' LEU . 4.7 mp -114.45 147.86 17.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.134 -177.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -119.14 151.6 38.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.85 0.357 . . . . 0.0 110.164 173.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.23 137.2 12.52 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.933 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 75' ' ' GLN . 1.3 pt20 -166.84 104.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.608 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -109.61 -29.35 8.41 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.144 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -155.34 -173.57 4.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -69.77 -28.73 66.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.624 0.25 . . . . 0.0 110.385 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.4 m -59.64 109.5 0.93 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.772 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.514 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 23.8 mp0 -61.41 -41.56 97.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.396 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -54.6 -50.71 67.39 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.488 -176.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.624 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -68.68 -33.24 73.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.68 -178.22 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.84 -35.01 74.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.757 0.313 . . . . 0.0 110.466 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 33.6 mtp-105 -68.28 -48.01 66.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.245 175.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.624 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -64.46 -34.21 77.67 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.644 -177.416 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.424 ' O ' ' HD2' ' A' ' 90' ' ' ARG . . . -67.79 -40.22 83.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.518 177.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.411 ' HB2' ' CD2' ' A' ' 39' ' ' LEU . . . -61.43 -42.94 99.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 177.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.693 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.2 mt -61.38 -49.56 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.742 176.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.4 -35.56 79.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.197 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.487 ' O ' HG23 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -63.32 -40.14 96.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.638 178.04 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.5 pp -72.81 -34.13 66.66 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.155 -179.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.63 -37.25 78.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.113 0.483 . . . . 0.0 109.808 174.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -61.79 -41.19 97.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.037 176.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.544 ' HA ' ' OE1' ' A' ' 97' ' ' GLU . 44.0 t -64.38 -45.31 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.497 177.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 86.9 mt -55.06 -44.96 76.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.273 0.559 . . . . 0.0 110.375 175.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -62.01 -30.29 70.85 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.495 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.544 ' OE1' ' HA ' ' A' ' 94' ' ' VAL . 53.4 mt-10 -66.56 -44.06 83.33 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.878 0.371 . . . . 0.0 111.164 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.475 ' HG ' HD22 ' A' ' 56' ' ' LEU . 4.4 mm? -67.77 -34.15 76.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.888 -174.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.528 HG21 ' HH ' ' A' ' 52' ' ' TYR . 4.0 p -84.05 -11.16 57.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.761 0.315 . . . . 0.0 111.54 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 175.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 121.084 0.468 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 32.5 t -120.68 128.1 52.66 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 5.9 m -133.98 114.37 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -172.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -163.19 82.49 0.48 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.069 172.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -89.06 101.04 13.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.442 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.0 tt -156.16 126.88 6.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.148 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -150.79 173.95 13.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.921 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 159.76 100.85 0.17 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.263 -0.97 . . . . 0.0 113.02 178.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -163.05 154.51 17.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.78 0.324 . . . . 0.0 110.372 176.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 11.5 p -143.35 143.5 24.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -119.97 171.29 8.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.996 0.427 . . . . 0.0 111.471 -177.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -117.27 137.68 24.23 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.493 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.29 148.04 48.57 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.59 2.193 . . . . 0.0 111.864 175.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 8.8 tt -91.6 133.19 35.77 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -178.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -114.34 146.04 41.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.555 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.2 pp -160.76 150.53 17.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.55 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -136.22 104.74 5.75 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 171.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -117.16 98.37 6.41 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.118 0.485 . . . . 0.0 110.293 -175.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -106.87 157.62 17.62 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.449 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 . . . . . 0 C--N 1.323 -0.574 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.925 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.521 ' HE2' ' HB3' ' A' ' 9' ' ' SER . 19.3 ptm . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.477 HG12 HD12 ' A' ' 15' ' ' LEU . 3.3 mp -89.51 124.23 42.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.63 127.43 47.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.043 -178.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.768 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 27.0 mm -109.3 165.5 5.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.422 ' N ' HG22 ' A' ' 4' ' ' ILE . 9.9 p -64.57 170.6 3.88 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 120.785 0.326 . . . . 0.0 111.592 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 69.89 -78.87 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.946 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -173.16 21.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.055 0.455 . . . . 0.0 110.728 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.768 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 25.2 t -91.34 144.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -176.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.521 ' HB3' ' HE2' ' A' ' 1' ' ' MET . 7.8 m -142.91 150.87 40.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.766 0.317 . . . . 0.0 110.609 177.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.462 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 66.9 mt -127.38 143.98 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.757 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.523 ' HB2' ' HG2' ' A' ' 14' ' ' GLU . . . -66.08 138.68 57.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.149 0.499 . . . . 0.0 111.092 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.01 -27.49 68.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.363 -177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -81.44 -3.71 53.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.786 -176.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.523 ' HG2' ' HB2' ' A' ' 11' ' ' ALA . 52.9 mm-40 -84.06 -48.74 9.58 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -177.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.477 HD12 HG12 ' A' ' 2' ' ' ILE . 66.0 mt -77.02 145.96 37.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -175.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 44.0 mt-10 -79.66 97.21 6.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.961 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.4 mm -88.73 112.2 23.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.96 151.33 48.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.921 0.391 . . . . 0.0 111.214 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.21 150.66 27.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.044 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.595 HG12 ' HB2' ' A' ' 38' ' ' HIS . 26.2 mt -85.99 94.88 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.29 0.567 . . . . 0.0 112.33 -175.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 . . . . . 0 C--N 1.313 -1.004 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 166.737 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.418 ' HB3' HD11 ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.51 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 32.5 mm -101.66 128.92 53.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.253 0.549 . . . . 0.0 111.94 -174.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.595 ' HB2' HG12 ' A' ' 20' ' ' ILE . 46.9 t-80 -122.71 111.7 17.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.648 175.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.466 ' HA ' ' O ' ' A' ' 16' ' ' GLU . 2.7 pt? -124.86 149.91 47.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.042 0.448 . . . . 0.0 110.372 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -103.04 146.0 29.03 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.109 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.428 ' HB3' ' CG1' ' A' ' 70' ' ' ILE . 73.4 t80 -145.81 103.81 3.8 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 172.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -111.91 161.03 16.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.047 0.451 . . . . 0.0 111.345 -175.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.597 HG23 HD21 ' A' ' 57' ' ' LEU . 3.6 mp -76.11 -42.61 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.099 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.7 ttt85 -59.67 -25.33 64.65 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.347 -171.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.17 -28.83 68.25 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.7 0.286 . . . . 0.0 110.956 175.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.0 t 65.6 -174.24 0.18 Allowed 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 123.662 0.785 . . . . 0.0 111.078 178.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.1 -43.94 1.47 Allowed Glycine 0 C--N 1.314 -0.656 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.232 -176.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.52 147.91 82.46 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.568 -0.316 . . . . 0.0 110.38 176.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.49 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 19.6 Cg_endo -62.32 159.16 36.7 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.677 2.252 . . . . 0.0 111.55 175.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.523 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 3.6 mp0 -50.78 -46.31 59.47 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.302 0.376 . . . . 0.0 110.132 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -50.32 -42.0 52.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.391 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -82.83 -49.86 9.25 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 49' ' ' PRO . 55.2 pttt -70.69 -32.45 69.69 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -172.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -64.1 -35.27 80.22 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.59 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.475 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 8.8 mmt180 -62.58 -25.05 67.88 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 176.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.473 HD13 HG13 ' A' ' 43' ' ' ILE . 81.7 mt -71.02 -28.8 64.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.821 0.343 . . . . 0.0 111.124 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.597 HD21 HG23 ' A' ' 43' ' ' ILE . 3.4 mm? -90.3 -37.59 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.837 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.475 ' OG1' ' HA ' ' A' ' 55' ' ' ARG . 7.4 p -73.93 -45.61 49.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.685 -177.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.11 79.8 7.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.154 0.502 . . . . 0.0 110.457 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.7 m -68.96 89.37 0.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.733 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.51 165.3 22.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.168 176.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -73.53 -23.53 60.02 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 173.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.01 -23.46 67.46 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.742 174.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.484 HD13 HG22 ' A' ' 70' ' ' ILE . 24.2 mm -70.59 124.27 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 169.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.495 ' HB2' HD12 ' A' ' 71' ' ' ILE . 12.0 m -106.19 -77.54 0.59 Allowed 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -163.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -76.53 -71.08 0.41 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.016 0.436 . . . . 0.0 110.569 -172.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -143.84 -68.67 0.33 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.462 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -121.56 36.61 3.2 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.399 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 p -145.16 144.26 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.484 HG22 HD13 ' A' ' 64' ' ' ILE . 43.5 pt -100.51 133.97 41.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.063 0.459 . . . . 0.0 109.884 174.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.495 HD12 ' HB2' ' A' ' 65' ' ' SER . 1.7 mp -105.94 111.97 37.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 174.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.461 ' HB ' ' CD2' ' A' ' 39' ' ' LEU . 49.9 mm -98.87 116.4 41.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.541 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -101.68 102.95 13.71 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.685 0.755 . . . . 0.0 110.39 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.51 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -98.37 124.47 43.05 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.394 -175.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -153.34 102.11 2.58 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.121 -176.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -104.21 -67.27 0.91 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.737 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -178.46 85.14 0.02 OUTLIER 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.718 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 62.9 176.09 0.15 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.966 176.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.2 m 69.67 111.13 0.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.541 0.686 . . . . 0.0 111.673 175.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -66.17 -26.82 67.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.043 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -58.87 -56.38 22.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.797 0.332 . . . . 0.0 111.856 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 pp -76.07 -36.04 59.16 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.258 0.551 . . . . 0.0 110.6 -174.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.469 ' HB3' HG12 ' A' ' 37' ' ' ILE . 33.1 m-20 -64.9 -34.47 78.47 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.286 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -66.91 -44.17 81.43 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.315 175.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.34 -41.42 97.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.61 -44.39 97.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.273 176.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.413 ' HB2' ' HB1' ' A' ' 74' ' ' ALA . . . -58.24 -49.11 78.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.862 177.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.515 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 85.4 mt -59.65 -52.37 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.886 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.83 -38.72 79.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.689 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.463 ' O ' HG22 ' A' ' 94' ' ' VAL . 26.3 mmm180 -73.16 -35.95 66.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.758 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 2.6 pp -73.95 -36.05 64.59 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.365 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.527 HG13 ' HE2' ' A' ' 96' ' ' LYS . 58.7 t -68.72 -32.2 53.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 176.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.5 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . . . -58.65 -41.3 85.73 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.759 175.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 90' ' ' ARG . 16.8 t -58.51 -40.21 77.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.11 0.481 . . . . 0.0 110.41 176.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 92' ' ' VAL . 65.5 mt -58.86 -36.18 59.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.62 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.527 ' HE2' HG13 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -71.62 -36.71 70.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.936 176.597 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.39 -35.15 79.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.798 0.333 . . . . 0.0 111.685 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.462 ' O ' ' HD2' ' A' ' 55' ' ' ARG . 10.9 mp -79.41 -37.31 37.49 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -176.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.7 p -94.96 -33.69 12.66 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -175.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.594 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.8 t . . . . . 0 C--O 1.234 0.266 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.8 m -151.22 119.3 6.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.224 0.535 . . . . 0.0 111.554 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 13.4 p -130.19 142.02 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -81.33 134.81 35.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.49 0.662 . . . . 0.0 111.746 -174.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -141.59 96.98 3.07 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.003 175.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.74 -66.65 0.09 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.62 -174.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -94.69 142.03 27.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.84 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 154.32 33.35 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.543 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.415 ' O ' ' HD2' ' A' ' 136' ' ' ARG . 4.4 mppt? -114.07 35.78 3.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.028 0.442 . . . . 0.0 110.684 177.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 3.2 p -87.91 104.01 14.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.518 0.675 . . . . 0.0 110.217 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' A' ' 134' ' ' LYS . 6.2 mpt_? -94.34 104.04 16.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.515 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -155.0 77.83 4.95 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-O 120.997 0.427 . . . . 0.0 110.368 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -85.82 129.59 3.53 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.353 2.702 . . . . 0.0 111.405 176.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . 0.551 HD21 ' HB2' ' A' ' 141' ' ' LEU . 0.9 OUTLIER -77.86 90.23 4.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.325 0.584 . . . . 0.0 109.747 -179.456 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -77.91 76.83 4.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.888 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.551 ' HB2' HD21 ' A' ' 139' ' ' LEU . 4.9 tt -83.79 97.15 9.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.537 -170.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 141' ' ' LEU . 24.9 tt0 176.39 144.72 0.08 Allowed 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.961 0.788 . . . . 0.0 110.016 172.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -120.98 58.66 0.95 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.862 0.839 . . . . 0.0 109.27 173.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -82.78 83.54 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.225 -176.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 20.7 m80 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.63 178.938 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.613 ' HA ' ' HB2' ' A' ' 12' ' ' ASP . 26.6 ttt . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.564 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 43.6 mm -87.63 96.22 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.3 107.02 19.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.083 0.468 . . . . 0.0 110.334 179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 5' ' ' SER . 27.3 mm -92.98 164.87 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.431 ' N ' HG22 ' A' ' 4' ' ' ILE . 8.0 p -65.32 158.52 26.23 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 174.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.436 ' HG2' ' H ' ' A' ' 7' ' ' THR . 15.1 ttm180 67.91 -164.5 0.2 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -177.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.436 ' H ' ' HG2' ' A' ' 6' ' ' ARG . 12.4 t -83.81 26.94 0.67 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.265 0.555 . . . . 0.0 111.785 -174.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.7 t -105.59 124.63 60.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 O-C-N 121.997 -0.439 . . . . 0.0 111.109 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 m -141.67 155.04 45.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.185 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.564 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 58.3 mt -135.53 149.17 28.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.502 ' HB2' ' HG2' ' A' ' 14' ' ' GLU . . . -63.43 145.66 55.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 110.857 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.613 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 22.4 t70 -65.19 -45.64 83.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.86 -173.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -79.61 0.29 30.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.564 -173.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.502 ' HG2' ' HB2' ' A' ' 11' ' ' ALA . 27.5 mm-40 -81.0 -11.76 59.5 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -174.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.9 mt -74.52 157.68 35.08 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 176.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.732 ' HB2' ' HB3' ' A' ' 40' ' ' ARG . 38.9 mt-10 -87.92 97.49 10.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.7 mm -90.36 125.82 43.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.056 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.512 ' O ' ' HB3' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -128.42 148.67 50.72 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.054 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.51 136.32 32.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.242 177.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 55.5 mt -75.26 127.27 36.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.219 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.898 176.706 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.692 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.631 HD13 HE21 ' A' ' 80' ' ' GLN . 39.8 mm -98.76 114.7 37.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 CA-C-O 121.699 0.762 . . . . 0.0 111.246 -174.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.512 ' HB3' ' O ' ' A' ' 18' ' ' THR . 54.0 t-80 -113.73 102.74 10.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.089 174.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.533 HD22 ' HB ' ' A' ' 72' ' ' ILE . 2.5 pt? -105.64 147.88 27.98 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.389 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.732 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 30.6 ttt180 -118.24 111.68 19.11 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.98 -176.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.467 ' HB3' ' CG1' ' A' ' 70' ' ' ILE . 65.2 t80 -114.45 113.76 24.91 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -106.16 145.88 30.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.089 -174.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.672 HG13 HD12 ' A' ' 56' ' ' LEU . 1.7 mp -71.82 -44.17 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.994 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -68.38 -18.82 64.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.999 -176.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.11 -19.88 63.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.617 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t 66.06 174.7 0.23 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.981 0.896 . . . . 0.0 111.904 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.51 -43.09 1.3 Allowed Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.467 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.548 HD11 HD11 ' A' ' 56' ' ' LEU . 84.4 mt -76.82 154.4 83.19 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.718 0.294 . . . . 0.0 111.363 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -62.8 166.59 13.59 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.248 2.632 . . . . 0.0 112.419 175.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 68.5 mm-40 -57.75 -52.98 63.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.27 -174.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.42 -41.81 90.4 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -175.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.638 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 98.6 m-85 -69.35 -37.6 77.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.761 0.315 . . . . 0.0 110.373 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.48 ' HA ' HD13 ' A' ' 56' ' ' LEU . 34.3 ttpt -63.68 -40.84 97.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.605 176.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 98.0 mt-30 -57.05 -50.14 73.66 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.756 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -59.99 -36.25 76.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.398 -177.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.672 HD12 HG13 ' A' ' 43' ' ' ILE . 93.9 mt -56.78 -34.65 67.84 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -174.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.476 HD22 HG23 ' A' ' 43' ' ' ILE . 3.2 mm? -89.68 -31.77 17.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.847 0.356 . . . . 0.0 111.321 -178.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.8 p -82.54 -39.06 22.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -174.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.97 112.05 18.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.308 0.575 . . . . 0.0 111.237 -174.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.5 p -80.28 70.1 6.86 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.994 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -96.93 130.1 44.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -71.94 71.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.954 0.883 . . . . 0.0 112.514 -173.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.485 HD11 HG22 ' A' ' 94' ' ' VAL . 72.7 mt -146.36 -30.97 0.37 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 113.59 -1.641 . . . . 0.0 108.909 174.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.54 ' HA ' HG22 ' A' ' 70' ' ' ILE . 18.2 mm -61.37 136.75 24.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 170.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 m -72.43 -59.54 2.68 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.907 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -169.79 -63.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.761 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -72.21 -80.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.971 0.415 . . . . 0.0 111.269 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -156.83 37.34 0.57 Allowed Glycine 0 C--N 1.316 -0.532 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.866 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.9 148.17 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.54 HG22 ' HA ' ' A' ' 64' ' ' ILE . 31.0 pt -110.61 135.13 50.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.026 0.441 . . . . 0.0 110.505 174.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mp -114.97 121.82 67.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.987 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.629 HG21 HH11 ' A' ' 90' ' ' ARG . 3.5 mp -112.88 123.9 69.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.08 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -99.76 108.12 20.36 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.475 0.655 . . . . 0.0 110.395 173.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.46 124.7 50.62 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.629 -1.169 . . . . 0.0 110.065 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -157.6 104.94 2.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.223 0.535 . . . . 0.0 111.859 -176.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.678 ' HB2' HD12 ' A' ' 82' ' ' LEU . 2.8 tm-20 -87.25 -66.48 0.91 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 165.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -168.99 -85.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.268 169.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.46 -6.49 10.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.68 0.276 . . . . 0.0 111.695 -175.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -75.64 81.59 2.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.168 0.509 . . . . 0.0 109.867 175.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.631 HE21 HD13 ' A' ' 37' ' ' ILE . 2.7 tp60 -56.21 -32.63 64.6 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.382 -177.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.12 -54.96 38.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.208 -176.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.678 HD12 ' HB2' ' A' ' 76' ' ' GLU . 1.6 pp -69.41 -32.75 71.94 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.208 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -59.47 -40.73 87.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.146 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.467 ' O ' HG13 ' A' ' 88' ' ' ILE . 57.1 mtm180 -75.7 -44.69 40.88 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.962 177.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -57.31 -45.4 84.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.657 0.265 . . . . 0.0 111.464 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.5 84.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.49 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.98 78.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.546 177.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.581 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.7 mt -61.23 -49.78 83.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.352 177.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.45 -40.36 78.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.878 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.629 HH11 HG21 ' A' ' 72' ' ' ILE . 42.3 ttm180 -67.01 -42.74 84.46 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.026 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 2.9 pp -69.08 -36.95 78.17 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.356 -178.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.521 ' HA ' HD11 ' A' ' 95' ' ' ILE . 98.8 t -63.69 -38.28 81.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 174.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -62.2 -42.6 99.44 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.411 175.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.611 HG21 ' O ' ' A' ' 90' ' ' ARG . 69.7 t -55.47 -43.23 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.521 HD11 ' HA ' ' A' ' 92' ' ' VAL . 60.1 mt -57.8 -36.24 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.218 177.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -79.91 -41.17 26.65 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.754 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 17.4 mm-40 -50.37 -42.17 52.95 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -174.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.569 HD22 HD23 ' A' ' 56' ' ' LEU . 9.1 mp -87.91 -8.49 55.7 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.946 -172.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.2 m -118.59 -48.55 2.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.066 0.46 . . . . 0.0 111.249 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.937 -178.3 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.907 0.384 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 45.2 m -142.57 136.97 29.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 4.2 p -134.19 108.75 11.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.41 0.624 . . . . 0.0 109.952 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.443 ' HZ1' ' HB2' ' A' ' 129' ' ' LYS . 9.8 mtmp? -130.7 133.3 45.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.023 -178.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -144.74 95.63 2.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.622 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -103.93 98.93 8.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.276 -175.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -106.99 128.06 54.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.497 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -165.49 109.78 0.38 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.812 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 149.6 22.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.94 0.4 . . . . 0.0 110.241 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.29 131.67 41.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.371 -176.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -121.41 141.13 51.28 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 173.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -153.53 102.64 2.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.865 -172.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -95.9 165.65 1.34 Allowed 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.419 2.746 . . . . 0.0 111.886 172.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 57.1 tp -156.21 127.38 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.335 -0.228 . . . . 0.0 111.242 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -160.13 137.25 9.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . 0.606 HD22 ' H ' ' A' ' 141' ' ' LEU . 2.5 pt? -119.64 172.6 7.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.676 0.274 . . . . 0.0 110.678 -176.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.68 144.35 43.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.876 0.37 . . . . 0.0 110.504 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -171.03 128.42 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.878 0.371 . . . . 0.0 110.576 177.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -154.73 156.76 36.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 83.0 t60 . . . . . 0 C--N 1.318 -0.764 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.609 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.523 ' HA ' ' HB2' ' A' ' 12' ' ' ASP . 23.7 ttt . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.699 HD13 HD12 ' A' ' 15' ' ' LEU . 48.3 mm -99.95 115.79 41.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.6 0.238 . . . . 0.0 110.793 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.46 121.73 45.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.55 177.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 5' ' ' SER . 28.0 mm -107.02 165.38 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.531 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 1.3 p -59.77 151.23 25.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 174.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.531 ' HB2' ' O ' ' A' ' 5' ' ' SER . 12.2 mpt_? 70.73 -172.84 0.17 Allowed 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.647 0.592 . . . . 0.0 109.727 -168.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 t -86.89 47.94 1.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.911 0.862 . . . . 0.0 110.403 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.7 t -111.96 113.15 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.562 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 m -123.51 153.92 39.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.021 0.438 . . . . 0.0 110.409 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.568 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 72.0 mt -131.47 137.81 54.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.517 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -61.47 148.79 40.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.259 0.552 . . . . 0.0 111.527 -175.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.523 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 28.5 t70 -68.28 -29.77 68.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.357 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -83.49 -13.31 54.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.022 -179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.517 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 21.4 mt-10 -73.97 -8.84 57.62 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.711 0.291 . . . . 0.0 111.42 -179.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.699 HD12 HD13 ' A' ' 2' ' ' ILE . 98.4 mt -78.0 129.23 35.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.717 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -89.23 109.63 20.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.4 0.619 . . . . 0.0 110.382 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.4 mm -102.01 123.29 55.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.531 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.85 149.85 34.44 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.77 140.73 29.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.952 0.406 . . . . 0.0 110.504 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.44 HD11 ' HB2' ' A' ' 38' ' ' HIS . 39.7 mm -74.46 127.59 36.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.918 177.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 . . . . . 0 C--N 1.317 -0.826 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.559 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.666 0 CA-C-O 121.168 0.509 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.552 ' HB ' ' HB1' ' A' ' 74' ' ' ALA . 49.5 mm -101.18 117.7 46.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.915 -175.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.44 ' HB2' HD11 ' A' ' 20' ' ' ILE . 14.5 t-80 -114.56 105.57 13.24 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.138 0.494 . . . . 0.0 109.771 174.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.414 ' H ' HD22 ' A' ' 39' ' ' LEU . 2.0 pt? -106.15 150.06 26.2 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.397 -177.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -124.62 107.64 11.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.469 0.652 . . . . 0.0 110.041 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -97.62 104.44 16.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.895 -177.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.421 ' HA ' ' HA ' ' A' ' 69' ' ' VAL . 28.3 t0 -105.18 126.84 52.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -177.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.681 HG22 ' HG3' ' A' ' 53' ' ' LYS . 56.9 mt -56.54 -43.31 77.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.436 177.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -65.32 -14.66 61.29 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.014 -174.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.24 -14.62 58.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 0.0 111.7 -177.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 t -135.84 -170.01 2.53 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -123.61 69.98 0.45 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.915 -0.659 . . . . 0.0 111.95 -179.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.4 mt -75.23 153.85 86.24 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.43 141.98 81.18 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.499 2.132 . . . . 0.0 112.117 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 6.9 tp10 -52.55 -41.19 63.31 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.737 -174.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -54.18 -44.68 71.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.551 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -66.49 -42.4 87.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.082 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.681 ' HG3' HG22 ' A' ' 43' ' ' ILE . 27.0 ttpt -62.54 -38.02 88.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.342 -178.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 33.4 mm-40 -55.84 -49.96 71.87 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.784 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -67.32 -39.51 85.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.38 -28.4 67.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.606 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.2 mt -82.72 -29.32 29.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.62 0.248 . . . . 0.0 111.651 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.6 p -84.96 -43.29 14.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.13 122.62 16.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.128 0.49 . . . . 0.0 111.59 -177.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.2 m -89.32 52.83 2.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.64 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -84.5 126.85 33.66 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -54.57 -27.95 42.58 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -173.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 71.4 mt -57.74 -26.01 61.22 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.483 HD11 HG12 ' A' ' 70' ' ' ILE . 42.3 mm -73.46 129.59 36.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 175.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.732 ' HB3' HG11 ' A' ' 69' ' ' VAL . 32.4 t -84.87 -51.04 7.03 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -170.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -149.76 -83.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.389 -175.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.84 -84.88 0.11 Allowed 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.331 0.586 . . . . 0.0 110.396 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.463 ' O ' HG13 ' A' ' 43' ' ' ILE . . . -137.32 36.22 1.98 Allowed Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.521 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.732 HG11 ' HB3' ' A' ' 65' ' ' SER . 7.1 p -111.08 141.95 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.483 HG12 HD11 ' A' ' 64' ' ' ILE . 52.3 mt -109.79 124.05 66.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.845 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.498 HD12 ' HB2' ' A' ' 65' ' ' SER . 1.4 mp -103.2 115.39 45.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.584 0.707 . . . . 0.0 110.195 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.6 mm -122.23 128.12 75.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.051 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -98.16 122.7 41.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.323 0.582 . . . . 0.0 110.526 171.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.552 ' HB1' ' HB ' ' A' ' 37' ' ' ILE . . . -106.05 122.18 45.64 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.559 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -156.48 104.0 2.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.597 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -93.1 -67.52 0.85 Allowed 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 173.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 73.6 t80 175.93 -36.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.003 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -152.66 166.94 30.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.245 -177.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.3 m 60.47 88.95 0.07 Allowed 'General case' 0 C--O 1.233 0.232 0 O-C-N 124.031 0.832 . . . . 0.0 112.008 176.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.49 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 0.8 OUTLIER -60.39 -28.71 68.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.863 -178.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -50.79 -53.85 28.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.282 176.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 pp -73.64 -27.83 61.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.067 0.461 . . . . 0.0 110.182 -176.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.455 ' OD1' ' HA ' ' A' ' 80' ' ' GLN . 10.8 m120 -60.49 -39.44 87.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.16 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 38.3 mtm180 -64.41 -49.61 70.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.354 178.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -54.74 -43.93 73.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.221 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.476 ' O ' ' HG2' ' A' ' 90' ' ' ARG . . . -63.64 -44.12 94.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.129 178.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.507 ' HB1' ' HB2' ' A' ' 74' ' ' ALA . . . -59.86 -44.84 93.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.349 178.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.416 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 88.4 mt -60.15 -51.11 76.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.533 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.11 75.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.391 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.485 ' O ' HG22 ' A' ' 94' ' ' VAL . 17.7 mmm-85 -67.78 -48.73 65.52 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.705 178.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.441 ' O ' HG13 ' A' ' 95' ' ' ILE . 3.0 pp -66.57 -39.84 88.67 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.094 -175.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.3 t -64.69 -38.17 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.906 0.384 . . . . 0.0 110.099 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.635 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -61.81 -43.76 98.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.579 177.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 90' ' ' ARG . 90.1 t -59.06 -42.28 85.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.851 0.358 . . . . 0.0 110.59 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 91' ' ' LEU . 79.5 mt -58.09 -41.65 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.263 176.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -73.27 -24.67 60.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.622 -179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.635 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 32.7 mm-40 -66.23 -43.15 87.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.111 0.481 . . . . 0.0 109.725 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.3 mp -75.84 -30.22 58.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.616 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 40.3 p -105.33 25.8 10.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 0.0 111.331 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.615 178.739 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 62.1 m . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 24.7 t -99.07 111.36 23.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.237 -179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.9 m -77.85 157.08 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.146 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -133.95 122.17 22.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.549 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -95.24 139.89 30.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.437 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.5 mp -89.65 107.79 19.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.226 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 132' ' ' ARG . 49.3 mtt180 -87.1 94.62 9.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.211 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.74 133.76 1.81 Allowed Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.696 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -120.03 173.14 7.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.13 0.491 . . . . 0.0 110.987 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.3 m -101.35 -170.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.371 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . 0.49 ' HD2' ' H ' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -112.11 -177.56 3.2 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.658 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -87.09 106.15 10.22 Favored Pre-proline 0 C--N 1.326 -0.416 0 C-N-CA 120.736 -0.386 . . . . 0.0 109.98 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 136' ' ' ARG . 72.1 Cg_endo -77.21 123.11 6.46 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.502 2.135 . . . . 0.0 112.346 -175.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.15 74.86 8.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.22 0.533 . . . . 0.0 109.989 177.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -99.37 109.26 21.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.6 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 58.5 tp -82.74 123.22 29.1 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.834 -172.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -85.69 123.59 31.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.293 172.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -109.04 137.28 47.19 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.481 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -74.17 145.1 44.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.647 -178.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 10.0 p80 . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.778 177.42 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.449 ' SD ' ' HA ' ' A' ' 11' ' ' ALA . 14.0 tpt . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.435 ' N ' HD13 ' A' ' 2' ' ' ILE . 3.9 mp -106.63 109.67 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.0 0.429 . . . . 0.0 109.997 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.33 108.61 20.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.794 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.683 ' HB ' HG13 ' A' ' 8' ' ' VAL . 35.8 mm -93.98 160.64 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -178.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 14.2 m -62.96 155.53 27.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 176.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 5' ' ' SER . 37.1 mmt180 73.02 -164.49 0.11 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.481 0.488 . . . . 0.0 110.61 -175.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.2 t -89.68 37.25 0.87 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -173.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.683 HG13 ' HB ' ' A' ' 4' ' ' ILE . 8.6 p -122.59 129.49 75.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.509 0.671 . . . . 0.0 111.563 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m -128.61 149.26 50.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.539 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.421 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 68.5 mt -124.92 128.79 73.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.836 0.351 . . . . 0.0 110.561 -178.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.449 ' HA ' ' SD ' ' A' ' 1' ' ' MET . . . -66.64 151.28 47.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.56 -178.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.34 -34.67 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.255 -172.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -87.49 3.1 48.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.08 0.467 . . . . 0.0 111.347 -174.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.437 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 5.5 mm-40 -90.32 -19.55 23.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -175.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.4 mt -85.5 163.26 18.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.052 0.453 . . . . 0.0 111.106 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -89.15 98.05 11.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.916 175.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.1 mm -101.84 112.55 35.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.126 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.37 150.37 37.85 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.462 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.22 114.76 27.32 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 173.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.532 HD12 ' HB3' ' A' ' 36' ' ' ALA . 46.8 mt -55.47 118.26 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.217 0.532 . . . . 0.0 110.591 -176.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.878 -176.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.532 ' HB3' HD12 ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.554 HD13 ' HB3' ' A' ' 80' ' ' GLN . 45.4 mm -100.21 119.72 48.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.57 0.7 . . . . 0.0 111.515 -176.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.475 ' HB2' HG12 ' A' ' 20' ' ' ILE . 22.0 t-80 -109.97 114.69 28.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.895 175.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.452 HD23 ' HB3' ' A' ' 87' ' ' ALA . 2.1 pt? -128.44 144.82 51.2 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -121.19 121.06 36.97 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.327 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.469 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 4.3 t80 -96.66 101.45 13.06 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.427 ' HA ' HG22 ' A' ' 69' ' ' VAL . 24.2 t70 -101.6 142.0 33.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.141 -168.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.535 HG21 ' HE3' ' A' ' 53' ' ' LYS . 1.8 mp -78.83 -42.83 24.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.853 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.2 ttm-85 -63.45 -31.75 73.0 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.697 0.284 . . . . 0.0 110.99 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.31 -22.83 54.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.831 173.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.0 p 62.24 154.16 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.268 1.427 . . . . 0.0 113.508 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.28 -38.41 0.96 Allowed Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.673 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.7 mt -75.57 144.42 77.29 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.44 -0.38 . . . . 0.0 110.512 177.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.15 158.01 54.38 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.856 2.371 . . . . 0.0 111.788 176.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.34 -36.69 66.55 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.223 -176.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -59.07 -53.0 63.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.418 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 85.7 m-85 -68.07 -35.37 78.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.852 -178.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.535 ' HE3' HG21 ' A' ' 43' ' ' ILE . 1.2 tmtp? -58.24 -50.51 73.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.931 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -63.35 -41.67 98.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 55' ' ' ARG . 10.9 mmt180 -58.74 -44.38 90.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.901 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.597 HD22 HD21 ' A' ' 98' ' ' LEU . 96.0 mt -63.38 -35.32 80.03 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.01 0.433 . . . . 0.0 111.29 -177.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.98 -14.73 57.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.298 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.6 m -92.79 -52.08 4.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.754 0.311 . . . . 0.0 111.428 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.44 117.03 17.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.89 0.376 . . . . 0.0 111.335 -176.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.8 t -77.55 75.08 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.419 0.628 . . . . 0.0 110.134 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . 0.409 ' C ' ' H ' ' A' ' 63' ' ' LEU . 4.2 t60 -93.39 128.81 39.61 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -73.75 21.3 0.09 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -169.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.409 ' H ' ' C ' ' A' ' 61' ' ' HIS . 83.1 mt -97.92 -13.05 21.41 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.304 0.573 . . . . 0.0 109.78 172.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.1 mm -78.02 130.32 36.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 173.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.877 ' HG ' HD12 ' A' ' 71' ' ' ILE . 15.9 p -82.32 -83.55 0.13 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.866 0.365 . . . . 0.0 111.659 -174.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -146.56 -47.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.202 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -74.88 15.98 0.34 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -177.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.424 ' O ' HD12 ' A' ' 43' ' ' ILE . . . 71.52 19.63 77.88 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.431 -175.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 42' ' ' ASP . 2.7 p -106.0 143.87 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.469 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 22.8 mt -86.58 117.14 30.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.147 -178.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.877 HD12 ' HG ' ' A' ' 65' ' ' SER . 1.7 mp -103.79 119.38 52.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.278 0.561 . . . . 0.0 110.11 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.9 mp -108.3 116.76 52.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.701 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -94.25 104.17 16.17 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.441 0.638 . . . . 0.0 109.597 173.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.55 ' HB1' ' HB ' ' A' ' 37' ' ' ILE . . . -102.29 123.16 45.62 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.829 -174.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -164.13 104.84 0.88 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.136 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -121.07 -79.23 0.6 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.754 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -161.57 105.25 1.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.545 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 69.66 151.44 0.09 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 172.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.483 ' HB3' HD21 ' A' ' 82' ' ' LEU . 45.1 t 65.71 111.03 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.22 -0.9 . . . . 0.0 113.14 172.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.554 ' HB3' HD13 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -58.34 -34.93 71.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.718 172.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -60.57 -54.95 39.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.402 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 79' ' ' SER . 0.9 OUTLIER -71.1 -31.97 68.46 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.399 -176.128 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.92 -32.75 74.22 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -64.49 -51.48 62.78 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.228 0.537 . . . . 0.0 109.891 175.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.92 -38.55 79.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.688 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.629 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -64.17 -40.84 96.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.487 175.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . . . -60.26 -40.9 91.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.569 175.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 84.2 mt -60.31 -50.22 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.755 175.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.98 -39.54 74.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.629 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 10.5 mpt_? -60.29 -53.78 53.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.269 176.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 4.0 pp -68.21 -36.72 79.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.549 0.214 . . . . 0.0 111.382 -174.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.98 -41.42 86.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.583 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.56 -43.92 88.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.772 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 90' ' ' ARG . 98.8 t -61.69 -41.57 90.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.119 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 91' ' ' LEU . 88.3 mt -58.48 -39.84 76.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.31 0.576 . . . . 0.0 110.39 176.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.432 ' HA ' ' OG1' ' A' ' 99' ' ' THR . 0.0 OUTLIER -72.61 -19.41 61.47 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.374 177.399 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.7 -32.44 74.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.148 0.499 . . . . 0.0 110.617 175.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.597 HD21 HD22 ' A' ' 56' ' ' LEU . 10.3 mp -89.85 -8.32 52.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.725 -176.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.432 ' OG1' ' HA ' ' A' ' 96' ' ' LYS . 2.7 p -114.75 -53.96 2.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.991 0.425 . . . . 0.0 110.998 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.687 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 175.726 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.3 m . . . . . 0 C--O 1.234 0.276 0 CA-C-O 120.44 0.162 . . . . 0.0 111.429 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.6 m 69.93 97.04 0.06 Allowed 'General case' 0 C--O 1.231 0.081 0 O-C-N 124.036 0.835 . . . . 0.0 111.499 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.57 133.76 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.638 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -145.54 122.97 11.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.239 0.542 . . . . 0.0 111.439 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -167.63 97.2 0.47 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.019 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.1 pp -124.51 163.13 22.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.817 -177.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -172.16 168.95 5.63 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.234 0.334 . . . . 0.0 110.229 178.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.59 155.51 26.52 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -151.43 125.02 8.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.001 0.429 . . . . 0.0 111.301 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 3.0 m -144.24 137.14 23.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.44 175.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -162.36 137.02 6.78 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -113.07 103.89 55.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.882 0.372 . . . . 0.0 111.327 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -89.81 179.9 2.0 Allowed 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 123.64 2.893 . . . . 0.0 110.869 171.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 57.1 tp -161.77 117.97 2.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.056 0.455 . . . . 0.0 111.329 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -112.67 130.48 56.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.625 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.7 tt -166.6 101.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.93 113.63 5.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 178.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -137.82 88.67 2.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.179 0.514 . . . . 0.0 110.948 176.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -113.98 115.87 28.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.43 174.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.904 -173.253 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.493 ' HE3' ' HB3' ' A' ' 9' ' ' SER . 14.2 tpt . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.432 HD11 ' N ' ' A' ' 2' ' ' ILE . 3.9 mp -112.34 106.55 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.028 0.442 . . . . 0.0 110.431 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 9' ' ' SER . . . -94.14 119.54 33.12 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.231 176.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.417 HG23 HD13 ' A' ' 95' ' ' ILE . 17.3 mm -83.67 165.67 2.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 p -61.21 152.25 29.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.769 0.319 . . . . 0.0 111.011 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 7' ' ' THR . 68.9 mtt180 71.23 34.85 1.69 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.883 -178.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 6' ' ' ARG . 3.3 t 56.56 20.83 5.19 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.65 1.18 . . . . 0.0 113.241 172.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.3 t -92.37 104.47 15.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.493 ' HB3' ' HE3' ' A' ' 1' ' ' MET . 14.2 m -100.15 154.78 18.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.236 0.541 . . . . 0.0 112.003 -174.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.1 mt -130.29 124.11 57.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.324 176.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.475 ' HA ' ' SD ' ' A' ' 1' ' ' MET . . . -77.31 153.69 33.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.04 -177.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -62.98 -22.39 66.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.358 0.599 . . . . 0.0 110.24 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -66.63 -28.17 68.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.865 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.83 -16.85 43.02 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.301 -175.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.405 HD13 HD13 ' A' ' 2' ' ' ILE . 88.6 mt -85.51 150.81 24.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.208 -177.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.911 ' HB2' ' HB3' ' A' ' 40' ' ' ARG . 40.1 mt-10 -88.12 101.16 13.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 175.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.3 mm -100.12 130.93 48.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.99 -173.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.51 146.55 36.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.06 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.35 133.38 35.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.69 173.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.557 ' HB ' ' HB1' ' A' ' 36' ' ' ALA . 51.5 mt -73.12 118.96 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.084 0.468 . . . . 0.0 110.364 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.966 -177.902 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.557 ' HB1' ' HB ' ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.443 -0.794 0 CA-C-O 121.213 0.53 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mm -100.36 132.24 46.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.288 -177.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -132.51 104.42 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.438 175.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.577 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.3 pt? -116.85 144.33 44.63 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.045 0.45 . . . . 0.0 110.484 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.911 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 10.1 ttt180 -112.58 108.21 17.21 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.813 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -96.63 103.86 15.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.879 -176.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -103.93 146.5 28.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.91 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.766 HG12 HD12 ' A' ' 56' ' ' LEU . 1.4 mp -85.67 -42.07 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.371 -177.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -61.46 -23.18 65.69 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.609 -174.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.74 -26.21 68.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.622 176.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.5 t -130.12 -166.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.45 78.51 0.36 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.925 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.2 mt -75.69 155.72 85.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.529 0.204 . . . . 0.0 110.842 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.4 ' HB2' ' HD2' ' A' ' 52' ' ' TYR . 50.5 Cg_exo -53.37 149.82 28.43 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.976 2.451 . . . . 0.0 112.613 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.04 -37.14 78.93 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -170.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -64.06 -46.26 85.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.543 0.211 . . . . 0.0 111.238 -177.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.58 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 89.3 m-85 -64.69 -45.4 86.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.93 0.395 . . . . 0.0 109.938 175.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -52.96 -48.11 67.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.941 -178.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -72.75 -42.22 64.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.646 0.26 . . . . 0.0 111.255 -176.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -62.29 -33.9 75.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.766 HD12 HG12 ' A' ' 43' ' ' ILE . 91.8 mt -57.53 -42.02 82.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.923 0.392 . . . . 0.0 111.705 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.02 -14.47 31.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.549 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.4 m -93.72 -42.57 9.08 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.78 0.324 . . . . 0.0 111.617 -177.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.93 97.57 10.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.465 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.5 m -68.21 100.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.288 0.566 . . . . 0.0 111.553 -174.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -108.15 140.26 41.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.19 174.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -86.25 11.02 13.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.863 0.84 . . . . 0.0 110.074 -174.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.402 ' N ' HD13 ' A' ' 63' ' ' LEU . 5.5 mp -86.28 -6.75 58.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.302 -1.317 . . . . 0.0 108.993 170.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.442 HD11 HG13 ' A' ' 70' ' ' ILE . 48.0 mm -82.65 136.0 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.54 175.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.512 ' CB ' HD13 ' A' ' 71' ' ' ILE . 29.6 t -80.48 -84.46 0.1 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.546 -176.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -121.84 -86.58 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -170.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -87.92 49.0 1.72 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.579 0.704 . . . . 0.0 110.793 -173.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.65 29.53 63.37 Favored Glycine 0 C--O 1.226 -0.352 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.643 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.443 HG11 ' NH1' ' A' ' 40' ' ' ARG . 7.7 p -112.7 144.87 19.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.482 0.182 . . . . 0.0 110.565 -177.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.442 HG13 HD11 ' A' ' 64' ' ' ILE . 4.3 mp -98.53 124.75 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.583 -176.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.576 HG13 ' HA ' ' A' ' 40' ' ' ARG . 2.3 mp -121.23 123.76 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.89 0.376 . . . . 0.0 110.061 175.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.577 ' HB ' HD21 ' A' ' 39' ' ' LEU . 3.6 mp -106.0 143.13 17.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.638 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -118.04 146.83 43.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.011 0.434 . . . . 0.0 110.558 176.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.74 135.07 19.41 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.149 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.439 ' O ' ' HG3' ' A' ' 75' ' ' GLN . 12.6 pt20 -158.37 104.34 1.83 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.893 0.378 . . . . 0.0 110.472 -176.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -146.98 -85.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 176.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.412 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 20.4 t80 -92.78 10.83 29.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.359 -169.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 77' ' ' PHE . 23.1 mtm180 74.0 -35.9 0.32 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.375 0.67 . . . . 0.0 112.125 178.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.7 m -56.69 106.82 0.33 Allowed 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.027 0.441 . . . . 0.0 110.569 177.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.539 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 21.5 mp0 -59.25 -36.58 75.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.127 -175.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -51.07 -54.08 28.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.414 0.446 . . . . 0.0 111.481 -176.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.648 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 3.6 pp -76.41 -30.12 57.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.176 0.513 . . . . 0.0 111.03 -176.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -68.7 -37.33 79.45 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.727 176.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 18.3 mtm180 -68.29 -47.4 67.72 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.7 177.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.648 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 12.9 pt-20 -65.22 -33.59 76.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 111.129 -176.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.77 82.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.871 0.367 . . . . 0.0 110.495 173.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.6 94.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.191 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.534 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 88.8 mt -59.86 -49.61 83.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.157 175.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.61 -44.79 77.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.914 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -61.35 -44.29 97.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.959 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.2 pp -72.79 -38.19 67.33 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.979 -176.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.523 ' HA ' HD11 ' A' ' 95' ' ' ILE . 82.6 t -63.46 -39.19 84.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.936 0.398 . . . . 0.0 109.93 177.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -60.85 -44.73 96.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.607 176.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.3 t -58.16 -37.87 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.039 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.523 HD11 ' HA ' ' A' ' 92' ' ' VAL . 82.1 mt -56.23 -43.52 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 110.262 175.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -69.46 -37.91 77.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.838 177.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 29.7 mm-40 -60.02 -43.36 95.33 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.462 -178.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.613 HD22 HD21 ' A' ' 56' ' ' LEU . 10.6 mp -76.09 -15.38 60.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.246 -178.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.4 m -80.14 -29.33 38.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.585 0.707 . . . . 0.0 109.432 174.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.237 176.86 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.4 t . . . . . 0 C--O 1.234 0.28 0 N-CA-C 110.037 -0.356 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.2 m -150.48 136.2 18.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.41 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.7 p -157.83 140.19 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.131 -176.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -138.5 150.49 46.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.294 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -154.92 107.99 2.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.392 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.564 ' HG ' ' HG3' ' A' ' 132' ' ' ARG . 2.6 pt? -169.21 -178.02 3.06 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.935 -178.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.564 ' HG3' ' HG ' ' A' ' 131' ' ' LEU . 99.5 mtt180 77.07 156.17 0.17 Allowed 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.302 1.001 . . . . 0.0 112.183 178.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 168.27 163.66 22.62 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.811 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -162.69 132.23 4.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.164 0.482 . . . . 0.0 110.844 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 48.6 t -126.59 126.08 68.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.775 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -135.47 144.7 46.54 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -135.69 94.85 14.58 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 120.921 0.391 . . . . 0.0 110.637 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -88.68 117.85 0.95 Allowed 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.296 2.664 . . . . 0.0 112.398 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 87.9 mt -100.74 118.25 36.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.54 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -120.87 178.03 4.87 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.4 mt -124.12 157.51 34.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.354 0.597 . . . . 0.0 112.215 -170.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -122.71 159.87 27.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.17 -0.923 . . . . 0.0 108.823 173.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -161.09 82.49 0.64 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.03 0.443 . . . . 0.0 110.481 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -83.77 115.16 22.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.012 177.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 2.8 p80 . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.296 179.719 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.459 ' HE2' ' HB3' ' A' ' 9' ' ' SER . 27.2 ttt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.835 HD13 HD12 ' A' ' 15' ' ' LEU . 45.8 mm -105.4 132.06 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.035 0.445 . . . . 0.0 111.234 -178.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.62 120.85 38.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.252 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.861 ' HB ' HG12 ' A' ' 8' ' ' VAL . 34.7 mm -98.89 164.2 2.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -178.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.456 ' N ' HG23 ' A' ' 4' ' ' ILE . 2.6 p -61.16 142.71 56.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.066 0.46 . . . . 0.0 111.013 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 73.05 43.38 0.4 Allowed 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.751 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 76.84 -25.33 0.2 Allowed 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 164.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.861 HG12 ' HB ' ' A' ' 4' ' ' ILE . 7.6 p -62.72 131.34 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.144 0.497 . . . . 0.0 111.099 -178.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.459 ' HB3' ' HE2' ' A' ' 1' ' ' MET . 10.6 m -118.29 155.29 30.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.348 -175.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 57.0 mt -130.18 154.36 40.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.521 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.49 162.3 25.92 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.147 0.499 . . . . 0.0 111.219 -177.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -79.06 -41.84 27.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.889 -174.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -85.69 14.97 5.08 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -170.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -94.94 -2.25 50.89 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 120.947 0.404 . . . . 0.0 111.115 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.835 HD12 HD13 ' A' ' 2' ' ' ILE . 92.6 mt -79.89 140.76 36.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.737 177.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -105.89 112.93 26.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 175.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -105.55 127.79 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.039 0.447 . . . . 0.0 110.974 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 p -125.07 149.14 48.11 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.345 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.33 125.96 46.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.502 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.516 ' HB ' ' HB2' ' A' ' 36' ' ' ALA . 60.9 mt -71.48 143.89 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 . . . . . 0 CA--C 1.53 0.176 0 O-C-N 123.633 0.583 . . . . 0.0 111.859 -178.529 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.516 ' HB2' ' HB ' ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.442 -0.843 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.545 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 50.0 mm -97.49 124.99 50.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.284 0.564 . . . . 0.0 111.02 -174.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -118.73 115.76 25.16 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.437 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.57 HD22 ' HB ' ' A' ' 72' ' ' ILE . 2.6 pt? -132.79 150.28 52.18 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 32.6 ptt180 -130.79 137.4 49.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.154 0.502 . . . . 0.0 110.95 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -108.79 109.97 21.23 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 174.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -113.62 153.66 28.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.947 0.403 . . . . 0.0 111.302 -172.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.507 HG22 ' HE3' ' A' ' 53' ' ' LYS . 63.1 mt -64.63 -44.33 96.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.3 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -65.15 -19.04 65.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.915 -176.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.75 -18.13 62.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.657 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t 66.3 179.34 0.21 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.681 0.753 . . . . 0.0 111.268 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.72 -48.05 0.98 Allowed Glycine 0 C--N 1.316 -0.577 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.732 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 94.4 mt -73.53 143.3 82.16 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.712 0.291 . . . . 0.0 110.947 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 17.8 Cg_exo -69.39 153.04 71.2 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.781 2.321 . . . . 0.0 111.49 174.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 44.5 mt-10 -57.83 -39.0 76.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.046 -174.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -55.83 -51.12 68.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.89 0.376 . . . . 0.0 111.225 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.442 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 85.9 m-85 -71.29 -34.3 70.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.305 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.507 ' HE3' HG22 ' A' ' 43' ' ' ILE . 83.3 tttt -55.17 -42.57 73.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.125 175.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 32.5 mm-40 -67.24 -40.31 86.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.227 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -68.14 -31.39 70.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.106 -175.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 52' ' ' TYR . 96.7 mt -63.34 -33.03 74.64 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.107 0.479 . . . . 0.0 110.759 177.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.0 mt -79.72 -17.46 53.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.838 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.8 m -84.18 -44.81 13.59 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.406 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.37 106.85 18.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.546 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.5 m -75.27 63.8 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.233 0.54 . . . . 0.0 110.635 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -81.4 142.78 32.67 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -63.49 -28.48 69.98 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -170.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.435 HD22 ' CG2' ' A' ' 94' ' ' VAL . 6.9 mp -72.13 -3.47 23.43 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.763 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.432 HD13 HG13 ' A' ' 70' ' ' ILE . 43.2 mm -76.56 126.58 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 167.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.526 ' CB ' HD12 ' A' ' 71' ' ' ILE . 19.0 t -74.23 -46.89 38.83 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.557 -167.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -155.01 -75.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.338 -176.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -91.54 -83.48 0.28 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.833 0.349 . . . . 0.0 111.086 -178.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -137.95 33.37 2.26 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 121.02 -0.609 . . . . 0.0 111.904 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.462 HG13 ' HB3' ' A' ' 65' ' ' SER . 8.1 p -116.29 142.8 28.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 -178.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 4.4 mp -105.44 122.6 58.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.526 HD12 ' CB ' ' A' ' 65' ' ' SER . 1.6 mp -113.23 123.82 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.57 ' HB ' HD22 ' A' ' 39' ' ' LEU . 4.8 mp -111.75 134.15 55.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.898 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -106.02 119.31 38.86 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.541 0.686 . . . . 0.0 110.654 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.61 ' HB1' ' HB3' ' A' ' 87' ' ' ALA . . . -114.09 123.57 49.98 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.938 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -154.79 104.53 2.52 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.388 0.614 . . . . 0.0 110.92 -174.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.33 -73.45 0.67 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 170.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -174.16 -48.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.226 172.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.682 ' HG2' ' H ' ' A' ' 79' ' ' SER . 23.2 ttp180 -146.58 177.98 8.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.969 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.682 ' H ' ' HG2' ' A' ' 78' ' ' ARG . 19.3 m 65.79 85.92 0.14 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.57 0.7 . . . . 0.0 110.384 -177.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -62.73 -30.15 71.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.841 -172.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.71 -52.81 63.54 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.95 -32.0 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.18 -176.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -60.77 -45.08 95.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.781 174.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -65.21 -44.24 88.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.852 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -56.19 -41.42 75.51 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.58 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.57 -33.64 73.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.771 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.61 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . . . -67.06 -46.19 75.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.458 177.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.626 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 77.9 mt -63.17 -48.7 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.277 177.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.89 -32.45 69.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.128 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.505 ' O ' HG23 ' A' ' 94' ' ' VAL . 23.1 tpt180 -66.21 -49.78 66.1 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.817 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.8 pp -66.54 -36.23 82.18 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.496 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 88' ' ' ILE . 88.3 t -61.51 -42.91 95.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.427 176.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.96 91.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 177.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 90' ' ' ARG . 63.3 t -63.58 -49.22 83.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.458 177.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 91' ' ' LEU . 83.1 mt -59.35 -45.49 93.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.761 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.471 ' O ' ' HB1' ' A' ' 100' ' ' ALA . 98.2 mttt -65.04 -24.27 67.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.548 0.213 . . . . 0.0 111.503 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -77.14 -43.72 32.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.784 0.326 . . . . 0.0 111.308 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.0 mp -75.97 -33.01 59.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.674 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 81.1 p -99.84 8.72 43.96 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.603 -176.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 96' ' ' LYS . . . . . . . . 0 C--O 1.235 0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.399 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.9 m . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.8 m -136.22 106.44 6.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 -176.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.0 p -140.77 130.36 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.082 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -156.82 128.19 6.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.6 176.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -154.24 137.29 15.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.847 0.356 . . . . 0.0 111.166 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.0 pp -145.44 146.53 31.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.083 177.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.486 ' HD2' ' C ' ' A' ' 132' ' ' ARG . 1.6 ppt_? -149.7 173.5 13.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.876 -177.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLY . . . . . 0.417 ' C ' ' HD2' ' A' ' 134' ' ' LYS . . . 136.72 143.0 4.53 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.274 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 133' ' ' GLY . 4.4 mptp? -126.08 132.9 51.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.794 0.297 . . . . 0.0 111.082 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.5 p -156.11 130.37 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -116.19 118.82 33.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.9 0.381 . . . . 0.0 110.894 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -100.64 109.33 57.18 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.115 175.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -86.35 163.26 9.75 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 123.083 2.522 . . . . 0.0 112.724 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -165.73 142.7 5.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.509 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -135.66 172.17 13.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 35.9 tp -157.1 118.94 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.777 0.322 . . . . 0.0 111.57 -173.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -130.46 99.77 5.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.206 0.527 . . . . 0.0 110.742 171.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -121.84 144.7 48.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.136 174.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -149.47 132.48 16.22 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.486 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.477 177.341 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 tpt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.516 HD12 HD23 ' A' ' 15' ' ' LEU . 3.7 mp -117.24 123.94 72.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.951 0.405 . . . . 0.0 110.958 -175.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.21 95.38 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.801 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.545 HG13 HD13 ' A' ' 10' ' ' ILE . 35.1 mm -79.34 156.9 4.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.463 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.4 ' N ' HG22 ' A' ' 4' ' ' ILE . 40.5 m -86.17 164.08 17.44 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.349 178.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.07 71.2 0.37 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.039 -179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.1 m 75.72 -44.52 0.51 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 164.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.469 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 8.7 p -105.76 154.46 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 122.019 -0.426 . . . . 0.0 111.646 -171.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.4 m -135.21 156.35 49.13 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 171.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.545 HD13 HG13 ' A' ' 4' ' ' ILE . 1.4 mp -100.23 140.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.835 0.35 . . . . 0.0 110.424 -177.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.25 -175.07 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.815 -173.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -95.44 -55.41 3.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.803 -173.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -79.34 -14.6 58.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.274 0.559 . . . . 0.0 111.14 -173.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -83.15 9.8 9.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.86 -176.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.516 HD23 HD12 ' A' ' 2' ' ' ILE . 84.5 mt -78.01 150.53 33.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 111.923 -177.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -95.96 119.42 34.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.175 176.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.2 mm -128.03 120.56 53.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.012 0.434 . . . . 0.0 110.649 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.563 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -121.34 149.88 42.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.983 178.775 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.66 122.17 46.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.514 HD12 ' HB2' ' A' ' 38' ' ' HIS . 53.2 mt -96.61 121.23 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.311 0.577 . . . . 0.0 112.379 -173.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -114.83 94.4 4.74 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.036 -0.984 . . . . 0.0 108.387 168.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.78 132.19 34.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.54 -172.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.429 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 6.7 tp60 72.0 137.22 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 O-C-N 124.384 1.053 . . . . 0.0 111.995 175.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.81 107.08 2.53 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.669 176.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.38 138.4 58.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.784 0.326 . . . . 0.0 111.237 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.67 70.3 1.89 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.533 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.42 -75.85 2.32 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 -176.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -85.7 161.48 19.19 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -74.25 122.67 23.2 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.017 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.7 t -91.27 -21.2 6.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.707 0.765 . . . . 0.0 109.217 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -128.42 175.39 8.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.345 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -123.08 9.36 9.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.443 0.639 . . . . 0.0 109.766 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.6 p -93.51 11.23 29.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.556 -176.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.4 m -85.38 33.06 0.55 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.131 0.491 . . . . 0.0 110.935 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.1 t -154.19 95.76 1.87 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.56 148.48 26.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.85 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.7 mm -99.06 124.57 52.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.563 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 55.4 t-80 -112.1 121.78 45.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.02 -177.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 39' ' ' LEU . 2.0 pt? -132.32 148.31 52.43 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -133.35 140.34 47.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.17 0.51 . . . . 0.0 110.859 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.473 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 60.2 t80 -107.74 102.74 11.94 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.873 175.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.476 ' HA ' HG21 ' A' ' 69' ' ' VAL . 12.7 t0 -106.53 136.49 46.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.235 0.54 . . . . 0.0 111.466 -173.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.45 HG12 HD12 ' A' ' 48' ' ' LEU . 43.5 mt -67.83 -44.8 85.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.466 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 -66.27 -22.3 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.256 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.6 -13.39 59.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.2 m -128.92 -162.89 1.23 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -176.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.9 71.0 0.5 Allowed Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.466 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 85.2 mt -69.59 145.1 94.81 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -173.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 15.8 Cg_exo -68.79 168.55 19.89 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.338 2.692 . . . . 0.0 112.916 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 1.011 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -60.31 -48.01 83.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.201 -174.615 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -65.1 -41.4 94.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.987 0.423 . . . . 0.0 110.882 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.445 ' HE2' ' HE2' ' A' ' 41' ' ' PHE . 37.2 t80 -65.84 -47.44 74.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.152 -175.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 1.011 ' HE2' ' HA ' ' A' ' 50' ' ' GLU . 61.4 pttt -65.02 -34.22 77.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.7 0.286 . . . . 0.0 111.113 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -63.57 -41.2 98.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.61 0.243 . . . . 0.0 110.711 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.451 ' HD3' ' O ' ' A' ' 98' ' ' LEU . 3.3 mmp_? -59.08 -45.89 89.68 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.379 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.417 HD21 HD11 ' A' ' 70' ' ' ILE . 86.2 mt -62.83 -31.76 72.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.106 -174.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 57' ' ' LEU . 4.4 mm? -91.27 -13.51 32.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.651 -177.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.2 p -99.31 -34.34 10.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.752 0.311 . . . . 0.0 111.525 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.415 ' HB2' HD13 ' A' ' 98' ' ' LEU . . . -83.35 90.09 7.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.23 0.538 . . . . 0.0 111.246 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.6 m -69.3 102.16 1.67 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.992 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.31 150.48 51.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.384 175.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -64.17 -26.66 68.62 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.641 0.258 . . . . 0.0 111.681 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.445 HD13 ' HB ' ' A' ' 108' ' ' THR . 10.1 mp -62.16 -23.86 66.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.726 0.298 . . . . 0.0 111.43 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.473 HD12 HG13 ' A' ' 70' ' ' ILE . 35.8 mm -79.03 127.53 38.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.493 ' OG ' HD13 ' A' ' 71' ' ' ILE . 34.5 m -74.13 -54.47 7.72 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.766 -175.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t70 177.46 -48.62 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.688 0.618 . . . . 0.0 109.563 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -81.13 19.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.793 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.06 7.53 88.4 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.178 -177.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.476 HG21 ' HA ' ' A' ' 42' ' ' ASP . 6.7 p -89.41 142.95 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.473 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 4.0 mp -101.41 120.7 51.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.426 -176.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.493 HD13 ' OG ' ' A' ' 65' ' ' SER . 1.6 mp -112.06 123.55 67.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 0.0 109.943 177.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 45.0 mm -107.0 121.11 59.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.155 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -118.8 109.54 16.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.562 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.64 129.49 49.71 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.054 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -156.87 103.93 2.09 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.45 0.643 . . . . 0.0 110.533 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -124.12 -60.4 1.43 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.245 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -138.01 173.1 11.99 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.436 ' HB3' ' H ' ' A' ' 79' ' ' SER . 64.3 mtp180 -71.19 -164.01 0.1 Allowed 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.137 0.273 . . . . 0.0 110.84 174.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.436 ' H ' ' HB3' ' A' ' 78' ' ' ARG . 19.6 m 71.53 89.29 0.1 Allowed 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.79 0.681 . . . . 0.0 109.529 -173.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.96 -31.83 63.32 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.031 -177.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -51.08 -48.84 61.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.503 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.83 -38.65 64.47 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.979 -176.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -59.45 -45.01 92.8 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.0 mtm105 -65.57 -56.38 12.59 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.118 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -53.42 -45.78 69.53 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.0 -43.86 86.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.625 0.25 . . . . 0.0 111.021 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.64 87.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.269 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.523 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.4 mt -62.28 -51.89 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.786 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.82 -41.65 70.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 111.426 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.431 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 28.0 mmt180 -68.17 -46.06 71.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.744 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 4.1 pp -67.19 -38.39 85.28 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.775 -176.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.479 HG22 HG21 ' A' ' 2' ' ' ILE . 80.6 t -61.13 -44.39 98.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 120.92 0.391 . . . . 0.0 110.344 177.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.593 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -60.52 -48.52 81.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.518 177.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.2 -47.07 88.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 O-C-N 123.363 0.414 . . . . 0.0 110.995 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.3 mt -52.8 -49.44 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.578 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -62.95 -35.18 79.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.742 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 6.9 mm-40 -71.57 -39.03 70.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -177.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.451 ' O ' ' HD3' ' A' ' 55' ' ' ARG . 3.8 mm? -87.16 -23.64 24.75 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -178.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.9 m -76.77 -14.8 59.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.668 0.747 . . . . 0.0 109.195 172.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.31 169.64 16.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.082 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.68 -167.3 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.692 0.758 . . . . 0.0 112.518 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -64.7 173.35 2.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.024 -0.989 . . . . 0.0 113.562 -171.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 81.2 tttt 75.9 -14.53 0.78 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 114.269 -1.332 . . . . 0.0 112.278 173.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 18.7 t -83.02 94.07 7.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.016 0.436 . . . . 0.0 109.862 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -137.58 -175.44 4.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.354 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.744 ' HG2' ' H ' ' A' ' 107' ' ' ALA . 31.9 ttm180 64.03 -166.85 0.22 Allowed 'General case' 0 CA--C 1.544 0.732 0 O-C-N 123.491 0.494 . . . . 0.0 111.059 175.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.744 ' H ' ' HG2' ' A' ' 106' ' ' ARG . . . 76.75 10.3 2.75 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 172.213 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.445 ' HB ' HD13 ' A' ' 63' ' ' LEU . 23.5 p -129.44 88.44 2.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.033 0.444 . . . . 0.0 111.861 -178.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -138.48 83.8 20.22 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.604 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -96.21 95.21 0.09 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 123.504 2.803 . . . . 0.0 111.5 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.9 p -85.47 83.14 8.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.254 0.55 . . . . 0.0 112.22 -175.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -125.28 92.17 3.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.979 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -156.05 107.93 2.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.532 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.5 t -172.08 116.92 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.976 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -171.17 113.02 0.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -151.15 150.71 30.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.039 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -159.05 -174.87 4.96 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -134.17 158.46 43.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 173.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 57.1 tp -165.04 101.13 0.76 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.939 0.399 . . . . 0.0 110.804 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.4 p -143.31 118.27 10.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.708 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.1 m -148.21 114.74 5.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.715 0.293 . . . . 0.0 110.759 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.425 ' HE3' ' HB2' ' A' ' 122' ' ' LYS . 20.1 ptmt -142.5 116.51 9.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.569 176.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -131.37 105.64 7.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.665 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -145.63 122.01 10.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -124.38 124.72 42.96 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.152 -172.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.2 t -135.38 97.55 3.73 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 174.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.4 p -99.94 97.82 8.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.163 0.506 . . . . 0.0 110.886 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 29.9 m -131.5 6.05 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.769 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.655 ' HE3' HD23 ' A' ' 131' ' ' LEU . 6.5 tmtm? -94.89 107.61 19.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.045 -177.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -131.01 147.58 52.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.655 HD23 ' HE3' ' A' ' 129' ' ' LYS . 2.5 pp -148.54 165.35 31.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.869 0.366 . . . . 0.0 111.558 -175.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -142.68 -175.39 4.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.574 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 143.42 88.25 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.792 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -135.43 97.91 3.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.006 0.432 . . . . 0.0 110.364 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.6 p -137.32 134.82 47.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.049 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -96.78 112.24 24.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.174 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 5.8 tpp180 -141.46 90.23 9.03 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.681 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -91.09 124.86 0.93 Allowed 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 123.005 2.47 . . . . 0.0 112.948 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.67 96.17 6.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.721 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -101.08 141.7 33.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.921 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 141' ' ' LEU . 1.2 pt? -145.56 95.24 2.62 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.343 0.592 . . . . 0.0 109.947 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -109.54 176.43 5.08 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.888 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -133.46 138.82 46.35 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.993 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -141.52 120.74 13.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.861 0.362 . . . . 0.0 110.948 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -175.12 151.14 1.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.617 174.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -83.44 136.29 34.36 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -81.36 123.68 28.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.11 0.481 . . . . 0.0 111.584 -174.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 6.6 m170 . . . . . 0 C--O 1.243 0.714 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.256 169.899 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.738 0.304 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.445 HD11 ' N ' ' A' ' 2' ' ' ILE . 4.2 mp -104.89 129.97 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.204 -178.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.82 117.33 29.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.379 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.401 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 23.0 mm -106.71 166.2 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -56.79 160.37 3.45 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -176.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.457 ' HG2' ' OH ' ' A' ' 52' ' ' TYR . 27.3 mmm180 66.97 -88.54 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.873 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.3 p -146.72 1.99 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.727 0.299 . . . . 0.0 111.117 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.401 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 55.8 t -78.65 122.88 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.839 0.352 . . . . 0.0 110.594 -172.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.0 m -123.03 149.87 43.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.084 0.468 . . . . 0.0 110.151 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.433 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 64.2 mt -115.91 129.62 71.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.533 ' HB2' ' HG3' ' A' ' 14' ' ' GLU . . . -60.47 148.38 37.8 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -62.13 -24.85 67.4 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.353 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -114.87 10.59 16.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.218 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.533 ' HG3' ' HB2' ' A' ' 11' ' ' ALA . 7.1 mt-10 -73.01 -23.76 60.66 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.9 mt -85.75 122.21 29.51 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.555 171.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -75.51 115.07 14.79 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.202 0.525 . . . . 0.0 111.361 -176.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.5 mm -86.5 118.55 33.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.084 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.84 150.24 43.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.003 -176.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.47 145.07 25.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.516 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.603 ' CG1' ' HB2' ' A' ' 38' ' ' HIS . 40.1 mt -97.05 126.73 49.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.859 0.362 . . . . 0.0 110.592 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.84 10.47 10.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.007 -176.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -162.29 164.52 27.49 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 71.37 70.18 0.17 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.837 0.827 . . . . 0.0 110.296 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.07 117.79 0.65 Allowed Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.212 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.8 -171.43 3.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.736 0.303 . . . . 0.0 111.121 -175.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.02 -57.75 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.15 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.63 -165.69 39.05 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.574 -0.61 . . . . 0.0 111.574 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -71.15 156.43 39.6 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.1 m80 68.81 3.13 3.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.205 -176.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.6 t -124.35 140.55 47.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.6 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -90.75 150.36 21.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.888 0.375 . . . . 0.0 110.517 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.59 ' HZ3' ' HB2' ' A' ' 32' ' ' LYS . 10.2 mtmp? -77.66 120.43 22.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.405 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.2 t -153.07 159.96 42.88 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.457 -178.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.5 p -145.04 100.6 3.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.961 0.41 . . . . 0.0 111.587 -176.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.429 ' OG ' ' HG3' ' A' ' 78' ' ' ARG . 32.0 t -90.92 66.13 5.84 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 173.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.528 ' CB ' ' HB3' ' A' ' 75' ' ' GLN . . . -121.94 157.23 31.69 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.392 -171.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.7 mm -100.22 133.69 42.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.678 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.603 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 57.9 t-80 -124.25 121.83 36.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.043 0.449 . . . . 0.0 110.535 -178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -133.0 149.3 52.23 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 174.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.52 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 36.1 ptt180 -133.57 132.93 41.44 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.955 0.407 . . . . 0.0 111.126 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -113.03 118.4 34.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.123 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.431 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 9.7 t0 -105.65 134.38 48.87 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.635 174.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.1 mp -55.45 -43.08 70.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.741 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.431 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 56.4 mtt180 -64.28 -15.77 60.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.247 -177.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.53 -23.23 60.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.058 0.456 . . . . 0.0 110.461 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.2 t -122.38 -162.12 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.521 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.23 67.71 0.56 Allowed Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.9 mt -76.32 144.09 74.03 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.764 0.316 . . . . 0.0 111.665 -176.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -68.46 161.35 45.34 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.0 2.466 . . . . 0.0 112.037 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.494 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 70.8 mm-40 -62.23 -31.64 72.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.096 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -52.89 -51.0 62.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.516 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.457 ' OH ' ' HG2' ' A' ' 6' ' ' ARG . 85.9 m-85 -81.06 -34.41 32.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.636 -178.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.494 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 0.7 OUTLIER -57.03 -43.7 82.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.828 178.656 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.818 HE21 ' HA ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -70.91 -35.41 72.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.336 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.549 ' HD2' ' O ' ' A' ' 98' ' ' LEU . 29.2 mmt180 -60.99 -44.53 97.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.677 0.275 . . . . 0.0 111.471 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 52' ' ' TYR . 86.7 mt -69.15 -41.54 77.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.774 -176.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.9 mt -79.4 -16.43 56.22 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.5 p -90.86 -34.92 15.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.071 0.462 . . . . 0.0 111.719 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.17 99.05 6.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.241 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.2 m -57.33 120.63 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.238 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -140.6 152.06 45.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.63 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -81.45 -12.45 58.89 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 174.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.611 ' HB3' HG22 ' A' ' 70' ' ' ILE . 8.6 mp -59.47 -37.37 78.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.189 -1.369 . . . . 0.0 109.156 169.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.551 HD13 HG12 ' A' ' 70' ' ' ILE . 29.9 mm -78.8 124.28 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 174.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.452 ' OG ' HD11 ' A' ' 71' ' ' ILE . 16.8 m -97.16 -83.57 0.39 Allowed 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.54 -175.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.414 ' C ' ' H ' ' A' ' 68' ' ' GLY . 29.3 t70 -141.08 -52.84 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.722 -178.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -74.64 14.27 0.51 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.246 -0.434 . . . . 0.0 112.07 -174.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.414 ' H ' ' C ' ' A' ' 66' ' ' ASP . . . 72.82 26.13 72.11 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.372 -173.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.7 p -105.57 144.15 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.188 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.611 HG22 ' HB3' ' A' ' 63' ' ' LEU . 51.1 mt -99.64 118.13 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.626 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.452 HD11 ' OG ' ' A' ' 65' ' ' SER . 1.7 mp -96.3 122.62 47.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.942 0.401 . . . . 0.0 110.33 177.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.0 mm -108.34 122.75 63.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.872 177.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -120.25 116.84 26.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.369 -178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -135.98 142.1 44.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.998 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.528 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 18.2 pt20 -166.45 104.8 0.62 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.909 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -126.39 -68.66 0.8 Allowed 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.842 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -102.62 14.57 31.62 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -174.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.429 ' HG3' ' OG ' ' A' ' 35' ' ' SER . 57.9 ttp85 69.04 -43.25 0.51 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.6 0.563 . . . . 0.0 112.139 -177.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.1 m -46.1 114.25 0.76 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.338 0.59 . . . . 0.0 111.634 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -39.71 78.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.734 -174.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.79 -54.82 42.75 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -175.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 pp -73.48 -36.3 65.79 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.464 -174.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -63.68 -32.98 74.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.6 mtp-105 -64.98 -57.48 8.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.397 0.618 . . . . 0.0 110.663 173.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.74 -32.55 73.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.974 -173.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.531 ' O ' ' HG2' ' A' ' 90' ' ' ARG . . . -68.74 -43.14 76.52 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.215 -0.194 . . . . 0.0 110.531 175.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.81 -43.63 90.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.819 0.343 . . . . 0.0 110.589 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.65 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 77.5 mt -61.87 -48.72 87.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.463 177.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.12 77.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.224 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.531 ' HG2' ' O ' ' A' ' 86' ' ' ALA . 26.1 mmm180 -60.67 -42.52 97.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.905 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.5 pp -74.33 -36.47 63.68 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.248 -179.247 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.621 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 92.3 t -62.33 -41.71 92.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.225 176.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.99 85.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.932 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 83.2 t -60.42 -44.84 97.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.309 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 64.1 mt -53.57 -47.82 59.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.815 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.621 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 26.0 mtpp -70.35 -23.58 62.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.358 -175.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -75.13 -47.64 27.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.118 0.485 . . . . 0.0 110.537 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.549 ' O ' ' HD2' ' A' ' 55' ' ' ARG . 9.9 mp -68.69 -30.31 68.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.878 -177.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.0 p -80.59 -3.03 48.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.86 0.362 . . . . 0.0 111.774 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.64 131.06 35.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.182 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.4 121.54 15.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.608 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 68.04 99.61 0.05 Allowed 'General case' 0 C--O 1.233 0.221 0 O-C-N 124.002 0.814 . . . . 0.0 110.413 -177.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.99 124.58 28.39 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.432 -174.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.8 t -76.32 -30.64 57.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.053 177.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -81.32 105.02 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.385 -178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -164.92 109.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.177 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -141.6 31.39 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.387 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.3 t -146.52 169.41 19.0 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.233 -176.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -113.69 140.99 25.32 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.263 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -56.89 117.73 4.46 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.097 2.531 . . . . 0.0 112.759 -176.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.4 t -81.63 -19.01 42.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.284 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -110.37 117.47 33.71 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -94.11 20.32 8.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.409 -175.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.4 m -66.62 107.18 2.02 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -101.9 82.48 2.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.554 -171.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -121.37 80.54 1.67 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 168.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -92.35 99.52 12.26 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.828 -172.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -95.14 -54.86 3.28 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.572 174.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.7 mt 58.16 -167.91 0.14 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.382 -177.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.7 t -178.12 101.91 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 46.8 m -102.59 126.45 49.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.279 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -131.27 134.64 46.6 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -89.05 153.73 20.76 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.81 0.338 . . . . 0.0 110.701 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -101.31 164.58 11.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.752 0.311 . . . . 0.0 110.21 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -103.8 103.22 13.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.445 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 62.1 m -131.13 99.14 4.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.016 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.5 p -141.26 149.42 41.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.372 -177.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 30.9 m -104.1 -176.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.866 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -144.37 168.86 19.08 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.521 -0.178 . . . . 0.0 110.521 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.43 156.96 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.714 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -118.85 -60.62 1.74 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.851 0.358 . . . . 0.0 110.531 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -103.8 177.38 4.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.841 -175.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -107.84 -119.72 4.41 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -150.86 175.93 11.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.716 0.293 . . . . 0.0 110.56 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.43 134.26 49.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.107 0.479 . . . . 0.0 110.906 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -104.41 143.67 32.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.669 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.591 ' HA ' ' HE ' ' A' ' 137' ' ' ARG . 1.3 mmp_? -128.34 88.59 52.15 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.786 0.327 . . . . 0.0 110.291 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -81.12 110.13 2.25 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 123.125 2.55 . . . . 0.0 112.706 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 91.0 mt -103.42 156.77 17.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.976 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -145.0 144.83 31.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 111.363 -176.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 6.0 tt -127.55 123.02 34.82 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.09 137.45 43.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.343 0.592 . . . . 0.0 112.293 -172.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -113.9 140.73 48.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.42 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -140.97 137.71 33.25 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -77.01 116.27 17.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.98 0.419 . . . . 0.0 109.887 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -75.02 134.17 41.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.96 -178.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -128.91 179.8 5.53 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 173.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 11.0 p80 . . . . . 0 C--O 1.246 0.877 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.594 178.485 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.825 HD11 HD13 ' A' ' 15' ' ' LEU . 48.9 mm -98.34 120.56 47.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.524 0.202 . . . . 0.0 110.488 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.12 118.35 32.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.616 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 33.4 mm -109.46 165.34 5.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.457 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.412 ' N ' HG22 ' A' ' 4' ' ' ILE . 2.9 p -63.29 169.84 3.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.981 0.42 . . . . 0.0 112.121 -178.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 69.09 -83.63 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.498 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -164.32 20.11 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.11 0.481 . . . . 0.0 110.64 -176.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.616 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 39.6 t -95.8 127.69 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.776 -176.069 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 m -140.61 147.44 39.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.932 0.396 . . . . 0.0 110.42 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.518 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 4.8 mp -129.43 139.4 51.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.542 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.22 142.3 58.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.915 0.388 . . . . 0.0 110.543 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.03 -24.11 67.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.844 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -76.61 -7.01 54.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.235 -176.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.55 -11.33 56.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.668 0.271 . . . . 0.0 111.341 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.825 HD13 HD11 ' A' ' 2' ' ' ILE . 91.8 mt -85.22 136.24 33.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.908 0.385 . . . . 0.0 111.763 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.469 ' OE1' ' HD2' ' A' ' 40' ' ' ARG . 34.3 mt-10 -86.59 95.33 9.72 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.85 173.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.8 mm -95.61 113.49 30.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.555 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 p -117.9 145.43 44.65 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.108 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.95 130.63 34.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.917 0.389 . . . . 0.0 110.986 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.619 ' HB ' ' HB2' ' A' ' 36' ' ' ALA . 60.8 mt -81.75 126.22 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.43 178.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.33 116.04 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.521 174.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' A' ' 34' ' ' SER . . . -69.51 -83.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.696 0.284 . . . . 0.0 110.562 178.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -147.69 -0.78 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.938 0.399 . . . . 0.0 110.693 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.07 -167.17 39.52 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.955 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -149.55 173.1 13.99 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.68 145.78 5.06 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.493 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.26 -80.27 0.85 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.509 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -122.97 -175.17 3.11 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -84.39 132.88 34.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.887 0.375 . . . . 0.0 111.168 -173.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.93 138.85 43.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.944 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -102.6 -13.91 16.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.034 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -81.93 79.78 8.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.383 0.611 . . . . 0.0 109.567 171.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 p -85.88 -179.72 6.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.065 -178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.4 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 6.7 t -81.63 94.7 6.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.974 0.416 . . . . 0.0 110.177 -176.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.4 m -144.22 91.98 2.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.322 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.619 ' HB2' ' HB ' ' A' ' 20' ' ' ILE . . . -146.96 147.81 31.1 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.551 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 47.4 mm -100.96 117.89 46.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.234 0.54 . . . . 0.0 111.688 -172.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.602 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 47.6 t-80 -113.68 108.02 16.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.405 174.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.605 HD22 ' HB ' ' A' ' 72' ' ' ILE . 2.4 pt? -129.06 148.94 51.06 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.055 0.455 . . . . 0.0 110.402 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.469 ' HD2' ' OE1' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -123.95 121.37 35.12 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.506 178.766 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.479 ' HE2' ' HG ' ' A' ' 48' ' ' LEU . 37.1 t80 -99.12 102.55 14.26 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 175.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.535 ' HA ' HG22 ' A' ' 69' ' ' VAL . 25.8 t70 -95.27 140.34 30.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.456 0.646 . . . . 0.0 111.384 -174.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.3 mp -91.4 -39.55 11.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.07 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -36.84 64.64 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.457 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.76 -3.74 13.42 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.632 0.373 . . . . 0.0 111.833 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.8 t 67.23 119.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.258 1.028 . . . . 0.0 111.64 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -157.01 -66.88 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.835 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.115 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HG ' ' HE2' ' A' ' 41' ' ' PHE . 89.2 mt -75.72 145.82 79.02 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 173.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.56 151.25 39.23 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.383 2.055 . . . . 0.0 110.958 172.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.89 ' HG3' ' HD2' ' A' ' 53' ' ' LYS . 22.4 tt0 -65.5 -20.52 66.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.807 0.337 . . . . 0.0 111.554 -171.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -68.62 -26.36 65.31 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.295 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -82.11 -34.95 29.02 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 171.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.89 ' HD2' ' HG3' ' A' ' 50' ' ' GLU . 1.0 OUTLIER -59.4 -40.69 87.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.033 177.738 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 84.2 mm-40 -60.82 -44.08 97.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.818 177.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -56.12 -49.04 75.02 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.793 HD23 HD22 ' A' ' 98' ' ' LEU . 80.4 mt -65.45 -28.59 69.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.764 -175.483 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.9 mt -85.82 -22.52 27.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.501 -178.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.4 p -84.15 -33.89 24.16 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.54 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.8 101.19 9.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.755 0.312 . . . . 0.0 111.438 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.4 m -68.83 99.09 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -99.66 27.9 5.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.33 -170.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 72.18 -56.61 0.64 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.67 0.788 . . . . 0.0 110.986 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.4 -19.71 65.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.751 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.1 mm -82.44 124.46 39.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 173.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.9 m -57.28 -66.13 0.51 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.193 0.308 . . . . 0.0 110.882 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 177.87 -53.39 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.576 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -81.22 -25.36 36.75 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -174.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.53 52.08 0.07 OUTLIER Glycine 0 C--O 1.228 -0.279 0 C-N-CA 119.974 -1.108 . . . . 0.0 113.778 175.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.535 HG22 ' HA ' ' A' ' 42' ' ' ASP . 12.8 p -138.42 144.11 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 173.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.1 mt -115.55 117.2 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.703 0.287 . . . . 0.0 110.444 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.547 ' HB ' ' CG ' ' A' ' 110' ' ' PRO . 3.2 mp -104.97 123.28 58.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.075 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.605 ' HB ' HD22 ' A' ' 39' ' ' LEU . 4.2 mp -98.87 129.47 49.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -109.38 99.72 8.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.046 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.551 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -107.33 124.34 49.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.21 0.529 . . . . 0.0 111.035 -177.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -157.68 107.53 2.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.724 178.12 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.53 ' HB3' HD22 ' A' ' 83' ' ' ASN . 34.8 tt0 -145.38 -76.95 0.21 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.469 -176.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -114.51 173.82 6.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.595 -172.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 78' ' ' ARG . 2.9 ptm180 -77.04 -3.7 40.46 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.639 -176.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.467 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 50.0 m -97.09 111.48 23.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.969 0.414 . . . . 0.0 110.573 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -62.72 -32.98 74.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.1 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -56.77 -53.95 51.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.271 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.467 ' CD2' ' HB2' ' A' ' 79' ' ' SER . 4.1 pp -65.88 -35.34 80.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.034 0.445 . . . . 0.0 110.495 -177.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.53 HD22 ' HB3' ' A' ' 76' ' ' GLU . 0.3 OUTLIER -64.28 -38.56 91.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.673 176.208 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.3 mtp85 -65.48 -50.12 66.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -59.2 -45.25 91.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.337 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.528 ' O ' ' HB2' ' A' ' 90' ' ' ARG . . . -66.38 -28.8 68.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 178.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.498 ' HB2' HD22 ' A' ' 39' ' ' LEU . . . -70.62 -46.66 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.928 0.394 . . . . 0.0 110.621 177.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.599 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 79.3 mt -65.01 -48.54 83.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.532 177.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.89 -25.45 68.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.017 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.528 ' HB2' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -65.72 -49.13 69.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.332 177.725 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.599 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.3 pp -69.73 -35.48 75.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.497 -176.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.442 HG21 ' O ' ' A' ' 88' ' ' ILE . 85.9 t -62.33 -39.69 85.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.29 177.062 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.49 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -63.22 -44.25 95.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.387 177.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.2 t -58.07 -43.77 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 178.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 91' ' ' LEU . 82.9 mt -57.41 -42.73 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.065 0.459 . . . . 0.0 110.402 177.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -71.42 -31.73 67.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.556 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 93' ' ' ALA . 57.3 mt-10 -68.54 -28.27 66.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.608 0.242 . . . . 0.0 111.566 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.793 HD22 HD23 ' A' ' 56' ' ' LEU . 10.7 mp -93.39 -30.96 14.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.046 179.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.2 p -77.42 -44.95 27.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.228 -0.295 . . . . 0.0 110.724 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -98.73 153.74 18.5 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 173.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -73.11 91.18 1.6 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 120.923 0.392 . . . . 0.0 110.414 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -124.93 -74.16 0.62 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.982 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 93.0 mttt 57.48 94.61 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.804 0.69 . . . . 0.0 112.305 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.8 t -112.54 172.2 7.06 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -87.77 146.45 25.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.77 0.319 . . . . 0.0 111.099 -177.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -172.81 108.96 0.19 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.49 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.66 84.47 3.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.023 0.439 . . . . 0.0 111.615 -174.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 30.9 m -155.77 104.39 2.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.942 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -113.46 107.88 52.81 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.958 0.409 . . . . 0.0 110.964 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.547 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 62.3 Cg_endo -93.02 132.67 0.94 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.388 2.725 . . . . 0.0 112.08 175.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.506 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 26.6 m -116.1 97.46 6.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.634 -176.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 111' ' ' THR . 52.3 mtt180 -166.85 94.85 0.5 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.135 0.574 . . . . 0.0 110.272 173.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -116.15 151.33 35.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.922 0.391 . . . . 0.0 111.477 -175.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.1 m -118.65 106.22 12.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.508 175.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -119.78 130.18 54.82 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.298 -168.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -154.21 151.17 28.87 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 176.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -142.39 94.39 2.65 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.216 0.322 . . . . 0.0 110.516 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -92.81 148.81 21.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.141 0.496 . . . . 0.0 110.58 174.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.4 pp -129.4 157.06 43.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.851 -178.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.0 m -152.82 120.51 6.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.156 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.3 m -147.09 108.88 4.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.855 0.359 . . . . 0.0 111.164 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.52 ' HD3' ' O ' ' A' ' 122' ' ' LYS . 0.1 OUTLIER -126.51 144.92 50.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.793 176.177 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -138.69 132.02 30.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.798 0.332 . . . . 0.0 111.167 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -130.88 149.52 52.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.296 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -147.27 134.11 20.13 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.2 p -113.22 114.61 26.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.069 0.462 . . . . 0.0 110.824 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.2 m -119.37 105.09 10.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.388 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.27 133.94 55.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.746 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -165.54 118.78 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.162 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.15 109.36 8.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.924 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -111.09 171.39 7.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.992 0.425 . . . . 0.0 110.717 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -149.96 148.61 29.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.039 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -123.08 179.76 16.03 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.819 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -120.48 143.93 48.27 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.2 p -108.66 142.58 20.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.283 0.563 . . . . 0.0 111.688 -174.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -133.01 134.14 44.05 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 171.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -128.85 129.76 23.46 Favored Pre-proline 0 C--N 1.321 -0.667 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.668 -175.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -87.18 166.25 8.17 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 123.18 2.587 . . . . 0.0 112.611 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 57.9 tp -147.93 113.76 5.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.956 177.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -101.93 132.3 47.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.392 0.615 . . . . 0.0 110.778 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 7.2 mp -106.7 6.4 29.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.586 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -66.8 118.82 10.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.522 -173.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -129.63 159.01 37.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.996 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -115.63 170.12 8.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.617 0.246 . . . . 0.0 110.384 -172.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -109.03 130.21 55.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.196 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -97.7 149.76 21.94 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -74.53 102.9 4.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.769 0.795 . . . . 0.0 110.317 -177.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 . . . . . 0 C--O 1.246 0.894 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.248 178.003 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.443 ' N ' HD13 ' A' ' 2' ' ' ILE . 3.4 mp -84.99 116.08 27.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 120.94 0.4 . . . . 0.0 110.248 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.46 125.4 46.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.556 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.442 HG21 ' N ' ' A' ' 5' ' ' SER . 31.5 mm -109.31 165.2 5.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.442 ' N ' HG21 ' A' ' 4' ' ' ILE . 14.9 m -60.16 160.92 7.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 173.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 5' ' ' SER . 4.1 mpt_? 65.03 -164.35 0.25 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -175.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -88.77 37.94 0.86 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.887 0.851 . . . . 0.0 110.582 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.9 t -103.69 130.85 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.17 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -142.33 153.71 44.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.41 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 66.0 mt -133.48 133.87 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.656 -175.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.495 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -72.28 151.69 42.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.9 0.381 . . . . 0.0 110.52 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -75.26 -20.54 59.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -173.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -81.88 -5.22 58.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 0.0 110.946 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.495 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 23.9 mm-40 -89.02 -2.6 58.65 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.024 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.427 HD13 HD11 ' A' ' 2' ' ' ILE . 91.4 mt -82.83 136.06 34.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.677 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -85.1 102.55 13.34 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 176.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.9 mm -96.0 117.66 40.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.27 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.29 133.74 55.63 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.288 177.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.35 127.74 34.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.466 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.489 HD11 ' HB1' ' A' ' 36' ' ' ALA . 53.0 mt -75.03 123.14 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.592 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -95.08 -61.29 1.51 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.586 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.528 ' O ' ' HA ' ' A' ' 32' ' ' LYS . . . 56.39 87.72 0.05 Allowed 'General case' 0 C--O 1.234 0.274 0 O-C-N 124.169 0.918 . . . . 0.0 111.913 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -82.19 82.17 7.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.784 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.66 -151.65 21.02 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.51 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 71.12 162.14 0.24 Allowed 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.306 0.642 . . . . 0.0 111.701 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.07 -51.25 4.54 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.162 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.47 -17.82 11.15 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.017 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -89.49 163.09 15.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.828 0.347 . . . . 0.0 110.156 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -79.8 116.35 19.92 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.374 0.607 . . . . 0.0 110.395 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.475 HG11 ' H ' ' A' ' 32' ' ' LYS . 11.0 p -121.65 -28.59 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.805 -178.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.474 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 2.2 m-20 59.08 33.97 23.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.595 176.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 22' ' ' ALA . 16.6 ptpt 55.25 20.05 3.27 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.532 1.133 . . . . 0.0 111.752 -178.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.7 p -128.04 76.8 1.72 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.024 0.44 . . . . 0.0 110.909 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.452 ' HB2' ' O ' ' A' ' 20' ' ' ILE . 50.9 m -75.3 -51.21 13.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.637 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.5 m 62.78 26.82 15.8 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 123.755 0.66 . . . . 0.0 110.617 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.489 ' HB1' HD11 ' A' ' 20' ' ' ILE . . . -91.85 175.86 6.73 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.596 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.9 mm -99.93 135.72 34.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.799 -173.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -148.08 133.18 18.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.511 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -139.25 150.45 45.5 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.893 0.378 . . . . 0.0 110.25 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -126.17 123.27 37.87 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.177 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -116.17 109.48 17.51 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.183 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -110.95 158.9 18.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.08 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.0 mp -62.41 -43.3 98.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.264 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.443 HH12 ' CD ' ' A' ' 116' ' ' GLU . 25.5 tpt180 -60.23 -30.15 69.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.767 -174.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.36 -27.87 69.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 p -129.81 -175.65 3.67 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.115 0.484 . . . . 0.0 111.353 -175.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.05 65.51 0.25 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.107 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.6 mt -75.24 144.51 78.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.49 156.03 49.24 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.755 2.303 . . . . 0.0 112.258 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.561 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 2.2 mp0 -61.08 -41.2 96.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 0.0 110.669 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -66.42 -22.98 66.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.328 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.46 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -79.36 -44.17 22.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.824 173.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -52.82 -41.49 64.25 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.75 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 30.8 mm-40 -54.8 -56.72 16.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.661 -177.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -75.52 -24.63 56.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -171.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.524 ' HA ' HD22 ' A' ' 98' ' ' LEU . 91.2 mt -72.07 -41.72 67.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.754 0.311 . . . . 0.0 111.414 -177.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -82.57 -17.76 43.73 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -174.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.833 ' HB ' HG23 ' A' ' 108' ' ' THR . 3.1 p -76.12 -34.42 59.46 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.28 117.04 10.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.328 0.585 . . . . 0.0 111.781 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.437 ' HB2' ' HB2' ' A' ' 107' ' ' ALA . 8.4 m -85.38 88.94 7.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.001 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -131.09 136.82 48.74 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -67.79 -5.8 18.12 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -172.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.0 mt -69.83 -26.53 64.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.29 0.567 . . . . 0.0 109.586 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.433 ' CD1' HG12 ' A' ' 70' ' ' ILE . 24.0 mm -85.37 131.43 34.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 174.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.8 m -81.43 -85.35 0.1 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.572 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.457 ' C ' ' H ' ' A' ' 68' ' ' GLY . 37.2 t70 -163.93 -38.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.163 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -72.87 20.2 0.08 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 66' ' ' ASP . . . 66.77 38.17 92.87 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.573 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.7 143.8 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 115.592 -0.304 . . . . 0.0 110.232 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.433 HG12 ' CD1' ' A' ' 64' ' ' ILE . 40.6 mt -94.29 119.56 42.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.034 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.5 mp -104.29 118.46 51.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.297 0.57 . . . . 0.0 110.191 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.9 mm -118.7 129.19 75.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.069 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -117.44 152.97 33.91 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 173.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.91 126.55 8.82 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.862 0.363 . . . . 0.0 111.497 -177.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.408 ' HB3' ' HB3' ' A' ' 36' ' ' ALA . 1.2 pp0? -154.87 102.18 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.76 0.79 . . . . 0.0 110.016 173.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -117.47 -75.16 0.58 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.535 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.641 ' HB3' HD23 ' A' ' 82' ' ' LEU . 20.4 t80 -103.86 172.66 6.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 173.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.425 ' C ' ' HD2' ' A' ' 78' ' ' ARG . 7.5 ppt_? -82.21 -1.68 49.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.713 0.292 . . . . 0.0 111.78 -175.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.454 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 20.0 m -84.65 108.57 17.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.917 0.389 . . . . 0.0 110.669 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.414 ' HG2' ' N ' ' A' ' 81' ' ' GLU . 5.5 pm0 -55.76 -41.52 74.11 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -174.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.414 ' N ' ' HG2' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -58.24 -45.95 86.83 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -175.711 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.641 HD23 ' HB3' ' A' ' 77' ' ' PHE . 3.5 pp -68.99 -34.51 75.42 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.099 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -65.14 -39.59 93.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.169 175.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.3 ttm-85 -57.82 -54.42 47.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.136 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.34 -38.15 79.63 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.986 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.76 94.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.701 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.1 -43.63 94.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.635 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.541 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 89.3 mt -61.26 -49.48 84.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.312 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.58 -40.26 82.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.01 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.436 ' O ' HG23 ' A' ' 94' ' ' VAL . 12.4 mmt180 -61.52 -51.43 68.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.812 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.6 pp -64.72 -39.04 92.97 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.725 -176.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.422 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 96.2 t -64.6 -42.49 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.277 177.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.27 -43.37 92.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.858 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.479 ' O ' HD12 ' A' ' 98' ' ' LEU . 93.1 t -62.07 -45.12 99.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.138 176.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 45.9 mt -52.56 -46.77 49.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 176.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.422 ' HD3' ' O ' ' A' ' 92' ' ' VAL . 9.0 mtpp -64.93 -27.86 69.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.409 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -77.51 -29.49 52.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.173 0.511 . . . . 0.0 110.923 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.524 HD22 ' HA ' ' A' ' 56' ' ' LEU . 10.2 mp -90.58 -43.46 10.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.315 -176.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 55.2 p -89.85 -17.78 27.45 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -170.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.72 143.46 48.01 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.707 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -79.24 63.18 3.81 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.546 0.688 . . . . 0.0 110.643 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -120.3 116.91 26.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.036 -177.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -63.6 169.92 3.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.445 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.2 m 63.09 40.81 8.72 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.98 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -76.85 -174.48 3.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.626 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -74.55 175.71 7.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.077 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.437 ' HB2' ' HB2' ' A' ' 60' ' ' SER . . . -54.79 150.22 10.14 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.286 -177.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.833 HG23 ' HB ' ' A' ' 58' ' ' THR . 95.0 m -131.91 135.27 46.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.515 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -139.06 153.01 71.16 Favored Pre-proline 0 C--N 1.331 -0.228 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 176.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.64 136.77 31.45 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.62 2.213 . . . . 0.0 112.771 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.485 ' C ' ' HD2' ' A' ' 112' ' ' ARG . 4.6 t -164.74 83.79 0.4 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.689 0.757 . . . . 0.0 111.213 177.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.485 ' HD2' ' C ' ' A' ' 111' ' ' THR . 3.9 mpt_? -138.73 111.26 7.56 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 174.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -138.8 7.89 2.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.8 t -157.2 147.02 20.61 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.521 -0.471 . . . . 0.0 111.394 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -139.43 134.88 32.99 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.153 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.443 ' CD ' HH12 ' A' ' 44' ' ' ARG . 44.8 tt0 -89.37 122.36 32.51 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.944 175.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -147.84 103.51 3.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.064 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -115.45 -54.43 2.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.25 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 10.8 mp 64.65 97.76 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 O-C-N 124.031 0.832 . . . . 0.0 110.983 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.2 m -73.87 94.85 2.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.957 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 31.4 t -138.24 131.85 30.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.092 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -118.8 110.96 17.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.33 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -158.74 147.88 18.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.078 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -143.92 122.29 12.35 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -155.88 145.09 20.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.72 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 68.6 m -152.77 108.58 3.33 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.268 0.556 . . . . 0.0 110.596 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.7 m -94.08 110.89 22.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.997 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.4 m -135.99 139.04 46.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 120.933 0.397 . . . . 0.0 111.972 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -144.02 126.68 16.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.542 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -98.14 144.08 27.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.515 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -146.57 120.05 9.07 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -116.5 132.4 56.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.52 110.79 0.46 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.277 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -140.04 95.66 2.93 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.9 171.94 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.26 0.552 . . . . 0.0 111.858 -174.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -142.19 118.76 10.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.196 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 137' ' ' ARG . 6.9 tpt180 -120.62 98.69 48.02 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-O 120.928 0.394 . . . . 0.0 110.665 -177.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -92.15 121.07 0.55 Allowed 'Trans proline' 0 N--CA 1.45 -1.078 0 C-N-CA 123.282 2.654 . . . . 0.0 112.297 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.439 ' O ' HD13 ' A' ' 139' ' ' LEU . 3.2 pp -126.33 141.01 52.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.138 175.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -113.92 151.81 31.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.105 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 87.7 mt -124.5 126.46 45.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.033 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -93.2 147.34 22.97 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.174 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -155.47 107.72 2.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.343 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -173.67 136.51 0.57 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 177.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -134.3 146.22 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.76 -176.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -152.36 93.4 1.8 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.733 0.777 . . . . 0.0 109.973 171.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -132.6 116.74 17.06 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.522 -177.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.751 178.652 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.46 ' SD ' ' HA ' ' A' ' 11' ' ' ALA . 13.1 tpt . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.436 ' N ' HD13 ' A' ' 2' ' ' ILE . 3.9 mp -107.6 119.21 56.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.987 0.422 . . . . 0.0 110.477 -175.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.83 118.67 33.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.72 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.532 HG13 HD13 ' A' ' 10' ' ' ILE . 41.1 mm -109.4 165.7 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.421 ' N ' HG21 ' A' ' 4' ' ' ILE . 9.5 t -64.3 157.54 25.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.734 ' HG2' ' H ' ' A' ' 7' ' ' THR . 14.6 ttm180 69.94 -176.54 0.2 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -175.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.734 ' H ' ' HG2' ' A' ' 6' ' ' ARG . 8.9 t -77.25 13.34 1.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -176.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.439 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 45.8 t -104.4 114.11 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.99 0.424 . . . . 0.0 110.952 -175.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.5 m -108.27 150.77 26.85 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 175.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.532 HD13 HG13 ' A' ' 4' ' ' ILE . 1.6 mp -113.09 135.9 51.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.76 0.314 . . . . 0.0 110.262 -175.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.46 ' HA ' ' SD ' ' A' ' 1' ' ' MET . . . -76.37 152.13 36.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.92 -178.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.1 -15.64 62.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.013 0.435 . . . . 0.0 110.93 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -78.42 -11.61 59.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.555 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -78.97 -25.54 43.47 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.018 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -83.03 129.98 35.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.226 -176.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.567 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 68.1 mm-40 -83.34 114.05 21.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.095 174.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mm -99.2 124.52 52.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.499 -174.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.83 149.46 35.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.743 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.68 145.85 24.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 176.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.528 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 53.6 mt -97.93 117.7 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.958 0.408 . . . . 0.0 111.157 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.434 ' HG3' ' HB2' ' A' ' 34' ' ' SER . 40.1 ttm180 -153.75 78.84 1.14 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.159 174.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.54 4.25 16.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.283 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.44 ' HG2' ' H ' ' A' ' 24' ' ' GLY . 5.2 tt0 63.22 -154.66 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -176.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.44 ' H ' ' HG2' ' A' ' 23' ' ' GLN . . . -154.71 158.95 28.64 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.296 -0.954 . . . . 0.0 112.29 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.88 175.1 10.68 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.05 31.2 26.56 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.529 -0.843 . . . . 0.0 111.741 -175.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.71 170.25 25.07 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.53 ' NE2' ' H ' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -101.35 165.95 11.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 117.032 0.416 . . . . 0.0 110.601 176.759 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 65.21 15.44 10.01 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.918 -177.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 t -92.31 124.77 44.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -170.36 -30.51 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.418 -0.81 . . . . 0.0 108.857 -175.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -62.09 177.94 0.42 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 114.979 -1.009 . . . . 0.0 111.207 174.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.3 m 72.17 18.18 4.83 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 122.019 0.914 . . . . 0.0 109.285 -175.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.434 ' HB2' ' HG3' ' A' ' 21' ' ' ARG . 26.2 p -88.25 14.9 8.43 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.094 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.6 m -148.02 94.69 2.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.968 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.528 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -148.8 164.59 33.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.139 178.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.454 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 50.5 mm -99.74 134.59 38.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.252 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.441 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 29.9 t-80 -130.14 136.12 48.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.433 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.567 ' HA ' ' O ' ' A' ' 16' ' ' GLU . 2.5 pt? -142.83 150.07 39.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.248 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -118.66 149.68 41.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.224 178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -161.91 115.01 1.81 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.79 ' HB3' ' HB ' ' A' ' 69' ' ' VAL . 2.7 p30 -125.5 162.2 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.16 0.505 . . . . 0.0 111.495 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.478 HD13 ' HB2' ' A' ' 56' ' ' LEU . 32.2 mt -58.46 -43.27 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.545 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -60.87 -38.2 84.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.059 -174.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.697 ' HB1' ' HA ' ' A' ' 115' ' ' LYS . . . -58.82 -59.56 5.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.054 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.727 ' HA ' ' HA ' ' A' ' 118' ' ' ARG . 24.8 m -90.97 -160.51 0.72 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.849 -176.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.64 64.42 0.55 Allowed Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.639 -0.584 . . . . 0.0 111.639 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.3 mt -74.43 147.48 85.08 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 120.541 0.21 . . . . 0.0 111.207 -176.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -64.29 146.83 90.71 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.694 2.263 . . . . 0.0 111.729 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.746 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 12.4 pt-20 -62.44 -27.48 69.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.419 -175.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -57.41 -42.14 81.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.036 0.446 . . . . 0.0 110.126 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.409 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 78.7 m-85 -81.42 -36.94 28.88 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.217 177.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.746 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 43.7 tttm -53.65 -50.81 64.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.706 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 11.2 mm100 -63.65 -42.95 98.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.568 0.223 . . . . 0.0 111.053 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -60.34 -37.55 81.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.54 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.595 HD23 ' HG ' ' A' ' 98' ' ' LEU . 97.6 mt -76.02 -35.54 59.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.374 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.3 mt -70.63 -46.63 62.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.655 0.264 . . . . 0.0 111.074 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 m -72.34 -61.92 1.62 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.4 ' HA ' HD12 ' A' ' 98' ' ' LEU . . . 54.48 179.26 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 176.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.1 t -173.08 28.91 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.061 -1.427 . . . . 0.0 107.172 176.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.757 ' HB3' HD22 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -127.59 129.33 47.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.555 -1.202 . . . . 0.0 109.401 -173.678 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -82.12 45.21 0.91 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.937 0.875 . . . . 0.0 111.241 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.757 HD22 ' HB3' ' A' ' 61' ' ' HIS . 2.3 mm? -111.6 -18.01 12.9 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.251 -1.341 . . . . 0.0 109.168 169.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.7 mm -82.66 136.46 22.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.023 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 1.06 ' HB3' HG11 ' A' ' 69' ' ' VAL . 40.6 t -79.04 -46.28 18.45 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.206 -178.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.5 t70 175.53 -76.66 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.47 0.481 . . . . 0.0 111.443 174.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -83.6 51.27 1.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.528 0.68 . . . . 0.0 111.014 -170.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.42 26.72 73.73 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.116 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 1.06 HG11 ' HB3' ' A' ' 65' ' ' SER . 3.1 p -113.58 142.69 25.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 55.9 mt -96.24 139.76 18.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.426 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.5 tp -124.21 116.23 47.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.502 0.668 . . . . 0.0 110.149 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.508 ' HB ' HD22 ' A' ' 39' ' ' LEU . 46.8 mm -125.21 139.66 50.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.661 -178.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.48 157.26 22.21 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 171.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.454 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -152.2 123.47 7.69 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.827 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -166.38 104.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.583 0.706 . . . . 0.0 109.945 177.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.425 ' HB2' HD22 ' A' ' 83' ' ' ASN . 56.8 mm-40 -114.17 -69.24 0.87 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.562 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -111.95 -85.25 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.775 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -166.86 -21.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.93 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.2 m -69.8 110.57 5.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.585 0.231 . . . . 0.0 110.438 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -56.35 -35.86 68.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.704 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -50.72 -53.05 34.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.67 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -43.7 94.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.76 -174.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.425 HD22 ' HB2' ' A' ' 76' ' ' GLU . 13.1 m120 -71.71 -35.25 70.17 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.511 -177.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -64.61 -50.85 65.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.389 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -53.9 -47.07 71.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.213 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.35 -45.78 92.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.957 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.54 -45.89 84.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 111.162 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.548 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 85.1 mt -63.67 -50.08 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.759 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.61 89.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.656 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.487 ' O ' HG21 ' A' ' 94' ' ' VAL . 99.5 mtt180 -66.85 -39.81 87.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.702 -178.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 2.4 pp -68.43 -37.17 80.03 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.336 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 88' ' ' ILE . 96.4 t -63.17 -42.32 96.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 121.153 0.501 . . . . 0.0 110.0 176.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.07 -38.93 93.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.743 177.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.594 HG22 ' HG ' ' A' ' 63' ' ' LEU . 55.9 t -61.42 -44.65 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.067 178.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 91' ' ' LEU . 82.0 mt -57.57 -42.23 80.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.903 0.382 . . . . 0.0 110.624 178.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -70.35 -36.27 74.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.313 0.578 . . . . 0.0 110.487 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.613 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 3.0 mm-40 -58.7 -41.24 85.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.36 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.595 ' HG ' HD23 ' A' ' 56' ' ' LEU . 4.0 mm? -68.64 -26.33 65.28 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -177.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.8 p -89.33 -13.79 37.11 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.808 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -101.73 153.36 19.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.749 0.309 . . . . 0.0 110.984 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -77.08 75.96 3.64 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.015 0.436 . . . . 0.0 110.152 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -142.89 -175.82 4.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.4 -0.818 . . . . 0.0 108.826 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.603 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 39.6 ttpt -163.07 121.88 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.131 0.491 . . . . 0.0 110.743 173.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.8 m -132.4 152.62 51.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.981 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.407 ' HE ' ' HB3' ' A' ' 105' ' ' ARG . 2.9 tmm_? -136.54 131.98 34.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.684 -175.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.13 -56.08 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.268 -176.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.404 ' C ' ' HG1' ' A' ' 108' ' ' THR . . . -113.23 166.01 11.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.768 0.318 . . . . 0.0 111.759 -174.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.517 ' O ' ' HB2' ' A' ' 109' ' ' ARG . 34.9 m -162.87 142.94 9.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 119.068 -0.492 . . . . 0.0 109.681 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.548 ' HB2' ' HD3' ' A' ' 110' ' ' PRO . 35.4 mtm180 109.65 -64.57 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.585 0 C-N-CA 125.157 1.383 . . . . 0.0 114.423 170.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' A' ' 109' ' ' ARG . 34.4 Cg_exo -61.43 110.3 0.89 Allowed 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 121.811 1.674 . . . . 0.0 113.537 -171.193 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.64 ' HA ' ' OG ' ' A' ' 65' ' ' SER . 41.0 m -117.84 118.81 33.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.919 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -177.23 140.05 0.28 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.793 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -99.39 173.19 6.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.758 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.482 ' HB3' ' HG3' ' A' ' 16' ' ' GLU . 51.6 m -153.18 43.92 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.347 0.594 . . . . 0.0 109.806 178.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.697 ' HA ' ' HB1' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -71.7 -169.73 0.47 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.877 -1.056 . . . . 0.0 113.404 -172.492 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.526 ' HG2' ' HD3' ' A' ' 115' ' ' LYS . 67.6 mm-40 70.76 71.25 0.19 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.781 -175.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.589 ' HE ' ' HA ' ' A' ' 117' ' ' ARG . 3.0 mmp_? -142.8 -99.45 0.12 Allowed 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 175.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.727 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 8.1 tmm_? 78.81 104.94 0.07 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.271 1.029 . . . . 0.0 112.049 173.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 56.4 tp -166.39 105.36 0.64 Allowed 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 113.649 -1.614 . . . . 0.0 109.495 176.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.2 m -122.79 142.41 50.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.4 t -107.25 -176.34 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.079 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -154.98 118.66 4.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.523 -171.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.08 152.06 35.53 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.738 0.304 . . . . 0.0 111.026 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -162.59 124.59 2.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.122 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 119.32 2.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.442 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.3 p -121.89 148.02 45.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.728 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.4 m -131.24 130.73 43.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.623 0.249 . . . . 0.0 110.987 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 24.7 m -136.6 148.82 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.461 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -146.91 176.4 9.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.758 178.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -141.62 158.68 43.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.989 0.423 . . . . 0.0 111.421 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -139.54 179.92 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.056 178.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -136.7 158.16 45.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.499 0.19 . . . . 0.0 110.568 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.28 -174.15 28.7 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.473 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -144.6 133.16 22.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.682 0.277 . . . . 0.0 110.284 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.7 m -101.17 168.11 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.034 0.445 . . . . 0.0 111.766 -175.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.416 ' O ' ' HD3' ' A' ' 138' ' ' PRO . 60.5 ttt180 -140.24 148.13 41.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.512 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -107.29 100.46 33.41 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.659 0.266 . . . . 0.0 110.41 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.416 ' HD3' ' O ' ' A' ' 136' ' ' ARG . 10.0 Cg_endo -91.0 128.61 1.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.26 2.64 . . . . 0.0 112.425 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 139' ' ' LEU . 2.2 pt? -144.95 140.12 28.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.297 177.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -125.39 152.88 44.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -97.89 174.53 6.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.998 0.428 . . . . 0.0 110.938 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -107.16 168.46 9.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.514 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 -143.8 101.15 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.659 0.742 . . . . 0.0 110.23 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -104.74 137.58 42.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.179 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -130.75 159.86 36.03 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.037 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -90.76 153.06 20.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.995 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -148.44 150.65 33.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.705 0.288 . . . . 0.0 110.371 174.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 82.0 t60 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.533 -0.746 . . . . 0.0 109.499 174.088 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttt . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.482 HD13 ' HB3' ' A' ' 12' ' ' ASP . 46.8 mm -94.54 125.02 47.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.659 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.11 101.83 13.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.046 0.451 . . . . 0.0 110.842 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.538 ' HB ' ' O ' ' A' ' 8' ' ' VAL . 34.7 mm -88.83 161.38 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 176.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.449 ' O ' ' HB3' ' A' ' 6' ' ' ARG . 4.1 p -63.29 169.55 3.54 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.66 0.266 . . . . 0.0 111.384 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.463 ' HG2' ' OG1' ' A' ' 7' ' ' THR . 36.8 ttt-85 73.86 -80.79 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.698 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.463 ' OG1' ' HG2' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -169.99 -32.82 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.934 0.397 . . . . 0.0 110.976 -174.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.538 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 7.7 p -60.98 132.86 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.998 -175.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -119.45 155.24 32.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.676 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.0 mt -130.12 147.8 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.16 -178.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.69 125.2 33.0 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 174.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.482 ' HB3' HD13 ' A' ' 2' ' ' ILE . 5.9 p-10 -72.74 -5.62 39.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.241 0.543 . . . . 0.0 111.127 -178.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -75.84 -18.72 59.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.076 176.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -86.4 -9.39 56.42 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.426 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.481 ' HG ' ' HA ' ' A' ' 12' ' ' ASP . 85.0 mt -69.29 135.19 50.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.091 0.472 . . . . 0.0 111.509 -174.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' HB2' ' HB3' ' A' ' 40' ' ' ARG . 51.2 mt-10 -85.85 94.61 9.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.906 -178.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.4 mm -87.36 123.48 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.56 149.57 24.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.851 0.358 . . . . 0.0 110.834 -173.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.55 108.84 20.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.683 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.487 HD11 ' HB2' ' A' ' 38' ' ' HIS . 36.9 mt -75.72 125.17 35.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.847 -175.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -108.3 -23.84 11.74 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 175.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.813 ' HB3' ' HB3' ' A' ' 32' ' ' LYS . . . 67.6 27.53 7.73 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.116 174.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -82.51 134.82 35.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.382 177.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.84 127.39 1.24 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.529 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.14 108.57 2.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.93 0.395 . . . . 0.0 111.227 -176.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.35 -140.94 3.3 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.176 -0.535 . . . . 0.0 111.82 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.55 -98.24 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.253 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -103.77 171.31 7.43 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.537 0.208 . . . . 0.0 110.729 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 69.29 -1.9 2.03 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.949 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.51 134.08 59.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 174.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.781 ' HB3' ' HA ' ' A' ' 111' ' ' THR . 29.2 p-10 -106.93 123.58 48.37 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.508 0.67 . . . . 0.0 110.715 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.813 ' HB3' ' HB3' ' A' ' 22' ' ' ALA . 40.0 mtmt -123.1 124.31 42.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.31 177.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 t -149.86 132.6 15.93 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.824 0.345 . . . . 0.0 110.705 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.0 m -78.32 -26.4 46.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.161 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.8 m -86.44 63.32 7.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.49 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.9 164.97 38.09 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.384 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.5 mm -111.34 133.2 57.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.803 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.487 ' HB2' HD11 ' A' ' 20' ' ' ILE . 60.4 t-80 -130.47 128.28 40.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.615 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.4 pt? -131.0 150.27 52.23 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.711 0.291 . . . . 0.0 110.254 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.424 ' CG ' HG21 ' A' ' 69' ' ' VAL . 71.0 ttt-85 -122.3 114.9 21.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.127 -178.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.45 ' HZ ' HD21 ' A' ' 48' ' ' LEU . 78.5 t80 -118.13 102.3 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -97.72 145.88 25.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.269 -174.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.681 ' HA ' HD13 ' A' ' 48' ' ' LEU . 51.4 mt -72.39 -47.72 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.033 -178.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -71.65 -35.41 70.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.036 -174.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.19 -29.4 66.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.193 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 t -98.19 176.76 5.62 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.226 0.536 . . . . 0.0 110.174 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.7 53.53 0.71 Allowed Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.505 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.681 HD13 ' HA ' ' A' ' 43' ' ' ILE . 88.1 mt -75.67 145.39 78.51 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.858 0.361 . . . . 0.0 111.2 -176.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 38.5 Cg_exo -61.53 147.85 94.43 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.985 2.457 . . . . 0.0 112.198 177.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.25 -37.73 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.879 -177.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -61.45 -39.19 89.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.305 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.429 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 54.3 m-85 -77.18 -36.7 54.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.807 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.6 ttpp -51.54 -57.22 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.509 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -58.81 -43.21 90.55 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.4 mmt180 -62.45 -39.33 93.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.586 HD21 HD23 ' A' ' 98' ' ' LEU . 95.6 mt -63.22 -28.08 69.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.005 0.431 . . . . 0.0 111.123 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.1 mt -91.47 -19.75 22.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.848 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.9 p -96.01 -43.43 7.79 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -176.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.45 111.95 15.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.046 0.45 . . . . 0.0 110.129 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.3 m -80.52 78.36 7.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.498 0.665 . . . . 0.0 110.785 -174.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.47 131.24 37.06 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -73.62 59.19 0.62 Allowed 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 mp -143.59 -9.6 0.73 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.605 171.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.8 mm -73.16 130.25 35.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.756 ' HB2' ' HB ' ' A' ' 71' ' ' ILE . 34.7 t -82.98 -83.43 0.14 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.351 -175.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' A' ' 68' ' ' GLY . 15.2 t70 -164.16 -40.48 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.808 0.337 . . . . 0.0 111.413 -177.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.67 -1.27 1.77 Allowed 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.768 -178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.442 ' H ' ' C ' ' A' ' 66' ' ' ASP . . . 81.73 35.31 22.58 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 -164.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.438 HG11 ' HB3' ' A' ' 65' ' ' SER . 8.2 p -124.96 145.79 31.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 114.124 -1.038 . . . . 0.0 110.614 -171.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.2 mt -85.04 122.87 38.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.756 ' HB ' ' HB2' ' A' ' 65' ' ' SER . 1.1 tp -121.01 135.18 62.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.131 0.491 . . . . 0.0 110.38 -176.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.615 ' HB ' HD21 ' A' ' 39' ' ' LEU . 5.0 mp -128.8 124.42 61.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.277 177.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -103.81 97.03 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 170.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.96 135.96 35.85 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.765 -173.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.8 104.15 2.84 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.27 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.456 ' HB3' HD22 ' A' ' 83' ' ' ASN . 3.4 tm-20 -94.05 -86.28 0.27 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.231 178.265 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -146.85 -51.1 0.21 Allowed 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.233 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -158.23 -36.46 0.07 Allowed 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -172.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 t -73.57 106.94 5.56 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.153 -0.342 . . . . 0.0 111.518 -173.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -35.76 81.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.308 0.575 . . . . 0.0 109.606 177.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -58.83 -49.67 76.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.162 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 tp -71.7 -32.44 67.82 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.316 -177.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.456 HD22 ' HB3' ' A' ' 76' ' ' GLU . 13.1 m-80 -63.28 -35.23 79.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.5 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -60.92 -53.75 53.4 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.153 0.501 . . . . 0.0 110.373 173.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -57.12 -43.94 82.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.482 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.574 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -67.39 -45.32 76.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.14 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.64 -47.17 86.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.76 0.314 . . . . 0.0 111.192 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.619 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.6 mt -64.13 -49.39 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.803 178.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.06 75.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.477 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.574 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 8.7 mpt_? -62.02 -45.82 91.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.605 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.3 pp -69.6 -36.28 76.06 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.068 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.434 HG21 ' O ' ' A' ' 88' ' ' ILE . 96.8 t -63.64 -33.06 59.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.053 0.454 . . . . 0.0 110.366 176.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.437 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -71.02 -41.35 70.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.543 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 90' ' ' ARG . 75.2 t -57.32 -42.74 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 120.916 0.389 . . . . 0.0 110.399 177.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 91' ' ' LEU . 94.6 mt -55.7 -35.87 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.701 177.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -81.59 -34.42 31.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.685 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.498 ' HG2' ' HB3' ' A' ' 102' ' ' GLN . 50.9 mt-10 -66.32 -33.36 75.55 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 111.505 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.586 HD23 HD21 ' A' ' 56' ' ' LEU . 11.0 mp -81.41 -15.57 54.77 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 p -99.1 -52.55 3.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.957 0.408 . . . . 0.0 110.484 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -101.53 111.77 24.12 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 170.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -53.63 102.95 0.07 Allowed 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.586 0.707 . . . . 0.0 111.719 -169.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.498 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 8.4 tt0 -132.11 140.66 48.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.154 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -115.65 136.68 52.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.153 0.502 . . . . 0.0 111.257 -173.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 m -88.81 18.41 4.79 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.568 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.445 ' O ' ' HG2' ' A' ' 106' ' ' ARG . 0.4 OUTLIER 65.53 -86.49 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.364 0.666 . . . . 0.0 109.694 -176.384 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.453 ' HA ' ' HD3' ' A' ' 106' ' ' ARG . 12.4 mmt180 -164.85 131.45 2.93 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 123.265 0.626 . . . . 0.0 109.398 174.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.71 117.14 27.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.873 0.368 . . . . 0.0 111.174 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.4 m -107.44 123.64 48.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.231 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.433 ' HD3' ' H ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -124.79 142.04 39.79 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.32 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 109' ' ' ARG . 16.0 Cg_exo -68.54 153.06 74.43 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.824 2.35 . . . . 0.0 111.582 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.781 ' HA ' ' HB3' ' A' ' 31' ' ' ASN . 42.5 p -128.05 -171.11 2.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.967 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 111' ' ' THR . 77.7 mtp180 75.88 145.83 0.09 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.005 0.815 . . . . 0.0 110.939 178.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.639 ' HB1' ' H ' ' A' ' 32' ' ' LYS . . . -157.08 -85.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.271 178.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.6 t -177.35 167.69 2.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.547 -176.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -124.79 121.2 33.93 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.515 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.19 143.25 50.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.129 0.49 . . . . 0.0 110.432 175.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.93 150.99 39.59 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.417 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -152.84 147.45 26.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.784 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.0 tt -141.69 125.25 16.76 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.0 m -136.04 112.7 10.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.262 177.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.0 m -134.24 113.77 12.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.4 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -140.78 140.17 34.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -151.71 120.82 6.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.862 0.363 . . . . 0.0 111.053 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -117.98 136.88 53.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.215 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -159.11 113.07 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.9 p -155.36 133.05 11.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 28.8 p -139.89 175.46 9.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.841 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.0 p -147.42 129.73 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.247 0.546 . . . . 0.0 111.256 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -132.93 116.69 16.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.681 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.01 113.06 11.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.416 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 56.9 tp -122.88 135.4 54.5 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -115.02 147.55 39.97 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.049 174.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.83 152.26 24.13 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.436 ' O ' ' HD2' ' A' ' 134' ' ' LYS . 0.1 OUTLIER -142.3 146.78 35.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.165 0.507 . . . . 0.0 111.4 -179.043 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.14 133.78 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.295 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.44 121.81 4.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.04 0.448 . . . . 0.0 111.8 -177.756 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' A' ' 138' ' ' PRO . 13.3 ttp180 -158.64 116.42 1.72 Allowed Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.678 172.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 137' ' ' ARG . 23.3 Cg_exo -64.58 150.92 87.41 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.035 2.49 . . . . 0.0 112.486 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.9 tt -109.93 105.39 14.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.839 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -105.25 131.95 52.07 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 49.8 tp -133.47 136.16 44.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.309 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.16 170.05 9.38 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.277 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -120.67 75.02 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.805 0.336 . . . . 0.0 110.178 -178.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -70.26 158.4 35.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.354 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -112.33 103.52 11.64 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.488 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -69.73 149.47 47.98 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -123.55 157.07 34.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.119 0.485 . . . . 0.0 111.363 -175.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 38.7 m80 . . . . . 0 C--O 1.246 0.899 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 170.926 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.515 ' HA ' ' HB2' ' A' ' 12' ' ' ASP . 19.3 ptm . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.531 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 42.2 mm -97.75 95.81 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.45 114.69 26.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.065 -174.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.538 ' HB ' ' O ' ' A' ' 8' ' ' VAL . 20.0 mm -109.64 165.14 5.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 4' ' ' ILE . 50.2 m -71.34 174.62 6.26 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 175.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.781 ' HG3' ' H ' ' A' ' 7' ' ' THR . 8.7 tpt180 67.51 -165.18 0.21 Allowed 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -175.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.781 ' H ' ' HG3' ' A' ' 6' ' ' ARG . 10.6 t -91.35 18.14 7.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.207 0.527 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.538 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 40.9 t -112.65 123.87 68.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.997 -177.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.0 m -147.92 161.29 41.61 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.531 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 4.3 mp -117.11 144.24 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -175.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.509 ' HB2' ' HG2' ' A' ' 14' ' ' GLU . . . -61.23 154.32 23.84 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 110.798 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.515 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 13.4 t70 -65.45 -48.78 71.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -170.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -89.58 19.39 4.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.05 0.452 . . . . 0.0 111.243 -171.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.509 ' HG2' ' HB2' ' A' ' 11' ' ' ALA . 19.3 mm-40 -79.16 -37.56 38.1 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.871 0.367 . . . . 0.0 110.925 176.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.532 HD21 ' HD1' ' A' ' 41' ' ' PHE . 68.7 mt -85.49 138.43 32.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.586 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -88.03 131.41 34.66 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.27 0.557 . . . . 0.0 110.816 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.468 HD13 ' HB3' ' A' ' 39' ' ' LEU . 41.5 mm -103.39 111.92 34.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.534 177.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.95 151.18 26.15 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 36' ' ' ALA . . . -82.72 130.92 35.2 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.559 HG12 ' HB2' ' A' ' 38' ' ' HIS . 56.2 mt -67.01 113.53 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.363 0.601 . . . . 0.0 110.551 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -98.57 49.43 0.98 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 122.081 0.943 . . . . 0.0 109.009 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.4 -179.05 4.77 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.097 -1.41 . . . . 0.0 108.52 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 24' ' ' GLY . 60.1 tp60 69.14 164.25 0.24 Allowed 'General case' 0 CA--C 1.536 0.427 0 O-C-N 123.716 0.635 . . . . 0.0 110.567 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.422 ' N ' ' HG3' ' A' ' 23' ' ' GLN . . . -173.34 -157.9 16.24 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 121.039 -0.601 . . . . 0.0 111.667 178.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.18 127.97 21.86 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.54 99.4 1.34 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.837 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.83 -81.21 0.17 Allowed Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.471 -0.651 . . . . 0.0 111.471 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -123.14 -177.58 3.73 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.56 ' HB3' ' HB3' ' A' ' 32' ' ' LYS . 37.1 m80 -108.2 94.52 5.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.7 0.762 . . . . 0.0 110.44 176.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.0 p -86.29 -37.77 11.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.457 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.451 ' HB3' HE22 ' A' ' 75' ' ' GLN . 28.2 p-10 -109.59 38.11 2.44 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.143 -178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.56 ' HB3' ' HB3' ' A' ' 29' ' ' HIS . 24.4 pttm -57.02 137.85 55.16 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.018 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.2 m 71.66 125.68 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.797 0.686 . . . . 0.0 109.982 -171.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -52.41 104.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.659 -176.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.6 t -133.49 0.96 3.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.55 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -78.14 159.11 28.81 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.541 ' HB ' ' HB1' ' A' ' 74' ' ' ALA . 46.6 mm -100.14 122.22 51.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-O 121.648 0.737 . . . . 0.0 112.258 -170.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.559 ' HB2' HG12 ' A' ' 20' ' ' ILE . 13.3 t-80 -127.1 108.26 10.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.821 173.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.468 ' HB3' HD13 ' A' ' 17' ' ' ILE . 2.7 pt? -116.08 148.18 40.5 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 40' ' ' ARG . 10.4 ptm180 -115.0 120.49 40.07 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.171 -0.612 . . . . 0.0 111.368 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.532 ' HD1' HD21 ' A' ' 15' ' ' LEU . 90.3 t80 -120.35 105.98 11.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.676 177.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.484 ' HB3' HG22 ' A' ' 69' ' ' VAL . 5.5 p-10 -117.3 154.68 30.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.132 0.491 . . . . 0.0 111.031 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.471 HD11 ' HB3' ' A' ' 56' ' ' LEU . 2.1 mp -59.13 -42.09 85.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.88 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -63.98 -8.03 10.29 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.17 -4.19 32.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.3 t -137.55 138.79 39.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.111 0.481 . . . . 0.0 110.849 -176.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.09 64.07 3.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.195 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 mt -75.96 150.04 83.2 Favored Pre-proline 0 C--N 1.318 -0.765 0 C-N-CA 122.408 0.283 . . . . 0.0 111.407 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.55 145.04 99.18 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.795 2.33 . . . . 0.0 111.306 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.546 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 0.9 OUTLIER -60.32 -40.28 90.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.25 0.834 . . . . 0.0 113.25 -168.909 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -60.53 -51.28 70.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.887 0.375 . . . . 0.0 111.259 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.436 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 60.4 m-85 -65.77 -37.2 85.68 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.109 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -58.05 -41.03 82.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.255 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.546 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 13.1 mm-40 -63.44 -46.03 88.19 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.026 0.441 . . . . 0.0 110.636 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -63.44 -36.96 85.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.854 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.54 ' HA ' HD22 ' A' ' 98' ' ' LEU . 92.3 mt -74.62 -28.68 60.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.278 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.0 mt -75.47 -41.91 54.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.716 0.293 . . . . 0.0 111.06 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.6 p -68.8 -47.8 65.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.903 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.962 ' HA ' ' HG ' ' A' ' 98' ' ' LEU . . . 60.1 -167.28 0.18 Allowed 'General case' 0 C--O 1.232 0.173 0 O-C-N 123.804 0.69 . . . . 0.0 112.142 175.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.7 t -169.46 27.59 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.524 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -148.15 155.33 41.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.402 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -74.99 12.42 0.87 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -174.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.458 HD21 HD13 ' A' ' 72' ' ' ILE . 6.9 mp -83.01 -7.37 59.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.874 0.369 . . . . 0.0 110.921 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.0 mm -80.79 131.64 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.892 174.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.49 ' HB2' HD12 ' A' ' 71' ' ' ILE . 34.8 t -92.96 -80.17 0.38 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.511 -177.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.4 -85.38 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.267 -172.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -87.24 -85.23 0.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.994 0.426 . . . . 0.0 110.735 -177.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -139.61 56.95 0.62 Allowed Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.537 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.484 HG22 ' HB3' ' A' ' 42' ' ' ASP . 7.3 p -120.37 141.73 39.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.874 0.369 . . . . 0.0 110.322 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.2 mp -107.4 119.84 57.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.483 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.49 HD12 ' HB2' ' A' ' 65' ' ' SER . 1.9 mp -102.0 118.13 48.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.191 0.519 . . . . 0.0 110.215 178.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.62 HG13 ' HB3' ' A' ' 91' ' ' LEU . 45.6 mm -99.68 115.84 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.725 177.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -96.96 119.64 35.81 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.199 176.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.541 ' HB1' ' HB ' ' A' ' 37' ' ' ILE . . . -120.32 124.19 44.97 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.038 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.451 HE22 ' HB3' ' A' ' 31' ' ' ASN . 41.7 tp60 -153.43 102.37 2.58 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -125.56 -58.86 1.4 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.058 -177.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -167.02 -164.47 0.62 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -176.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 78' ' ' ARG . 13.6 ptt180 -70.69 -174.34 0.89 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.674 0.215 . . . . 0.0 110.765 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.6 m 68.31 85.16 0.14 Allowed 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.597 0.713 . . . . 0.0 111.095 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -57.49 -26.03 60.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.389 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -56.99 -53.6 56.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.753 0.311 . . . . 0.0 111.337 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.592 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 2.1 pp -72.94 -29.61 63.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.219 -177.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -65.31 -40.81 94.23 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.456 ' O ' HG13 ' A' ' 88' ' ' ILE . 31.3 ttt-85 -66.83 -51.64 53.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.779 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.592 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -61.23 -35.83 78.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.993 -177.403 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.47 -37.4 74.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.361 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.55 96.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.279 176.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.678 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 77.6 mt -61.4 -51.42 73.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.143 176.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.29 80.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.917 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.406 ' O ' HG22 ' A' ' 94' ' ' VAL . 11.6 ttp180 -71.0 -35.0 71.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.406 -178.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.678 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.2 pp -70.91 -35.76 72.41 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.861 178.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.536 HG13 ' HE2' ' A' ' 96' ' ' LYS . 49.1 t -66.89 -36.62 77.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.523 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . . . -60.15 -41.72 93.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.373 174.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.474 ' O ' HD13 ' A' ' 98' ' ' LEU . 75.8 t -63.28 -39.82 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.457 175.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 91' ' ' LEU . 80.3 mt -59.57 -41.04 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.664 176.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.536 ' HE2' HG13 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -59.75 -36.95 77.66 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 120.521 0.201 . . . . 0.0 110.814 175.33 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -66.32 -48.16 71.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.357 0.599 . . . . 0.0 110.781 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.962 ' HG ' ' HA ' ' A' ' 59' ' ' ALA . 6.4 mp -70.31 -33.6 71.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.359 -174.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.4 p -93.76 -5.41 48.39 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.851 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 96' ' ' LYS . . . -66.08 159.92 25.01 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.843 0.354 . . . . 0.0 111.34 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -72.87 110.79 7.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.177 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 66.7 153.33 0.08 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.883 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.756 ' HB3' ' HZ1' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -164.41 -61.37 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.335 -178.262 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.8 t -134.7 158.12 44.91 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -83.93 -27.32 28.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.421 -174.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -134.1 109.12 8.72 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.666 -175.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.65 131.86 8.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.752 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 30.8 m -150.3 129.09 12.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.782 0.325 . . . . 0.0 111.228 -177.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -159.18 87.93 2.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.215 0.531 . . . . 0.0 110.788 177.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -96.14 167.39 1.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.326 2.684 . . . . 0.0 112.161 173.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 13.0 t 179.68 159.44 0.74 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.627 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -170.43 148.22 3.12 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -177.59 167.78 2.2 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t 72.0 72.48 0.16 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.87 169.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -136.01 112.33 9.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.039 171.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -169.93 117.3 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.353 0.408 . . . . 0.0 110.999 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.592 ' O ' ' HD2' ' A' ' 118' ' ' ARG . 13.0 ptm180 -179.58 86.39 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.99 0.424 . . . . 0.0 111.539 175.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.592 ' HD2' ' O ' ' A' ' 117' ' ' ARG . 0.3 OUTLIER -143.26 136.23 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.149 -0.344 . . . . 0.0 110.777 174.628 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 63.4 mt -157.19 94.6 1.42 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.053 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 49.4 m -139.5 116.71 11.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.841 0.353 . . . . 0.0 111.673 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.0 m -150.33 145.8 26.36 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 175.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -179.15 -169.02 0.14 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.133 0.271 . . . . 0.0 111.234 -173.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 75.41 119.73 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 170.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -145.75 124.39 12.53 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.12 174.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -100.17 160.63 14.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.2 p -175.3 111.74 0.12 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.772 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 42.8 t -170.91 119.29 0.51 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.75 0.309 . . . . 0.0 111.07 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 16.2 m -143.91 142.24 24.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.021 174.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -179.08 99.99 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 111.411 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -147.88 134.78 20.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.593 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 132' ' ' ARG . 2.5 pt? -169.39 126.97 0.94 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.617 0.246 . . . . 0.0 111.414 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 39.2 ttp180 174.71 105.7 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.526 171.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -115.92 99.7 0.9 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.96 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -110.91 140.93 44.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.18 0.514 . . . . 0.0 111.698 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.4 p -142.71 140.1 28.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.328 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -120.87 144.78 48.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.191 0.519 . . . . 0.0 111.794 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -125.55 100.03 32.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.106 176.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -86.21 38.13 0.58 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 123.007 2.472 . . . . 0.0 112.006 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 96.5 mt -86.42 120.17 27.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.443 -170.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -164.65 104.8 0.82 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.875 171.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -123.99 116.91 23.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.025 -170.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.17 150.86 19.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.103 0.478 . . . . 0.0 111.135 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -123.36 112.42 17.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.348 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -122.2 163.9 18.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.934 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 11.7 t60 61.29 70.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.987 0.804 . . . . 0.0 111.433 174.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -63.97 129.47 40.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 172.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -141.92 -179.18 6.06 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.516 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 32.8 t60 . . . . . 0 C--O 1.244 0.784 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.04 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.438 ' SD ' ' HA ' ' A' ' 11' ' ' ALA . 14.0 tpt . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.55 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 3.6 mp -102.89 116.24 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.81 0.338 . . . . 0.0 110.182 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.95 125.03 53.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.694 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.477 HG23 ' N ' ' A' ' 5' ' ' SER . 30.7 mm -109.9 165.69 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.564 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 29.5 t -56.64 154.16 9.28 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.564 ' HB2' ' O ' ' A' ' 5' ' ' SER . 13.5 mmt85 75.17 -164.01 0.07 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.752 0.658 . . . . 0.0 109.559 -169.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 t -102.2 35.91 2.27 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.6 0.714 . . . . 0.0 110.447 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.477 HG13 ' HD3' ' A' ' 49' ' ' PRO . 7.7 p -109.09 123.12 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.258 0.552 . . . . 0.0 110.899 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -127.58 152.7 47.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.55 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 mp -117.57 133.15 65.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 177.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.52 ' HB1' ' HG3' ' A' ' 14' ' ' GLU . . . -63.76 150.67 44.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.915 0.388 . . . . 0.0 111.01 -178.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.59 -35.18 79.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.738 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -108.51 33.46 4.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.541 0.686 . . . . 0.0 109.881 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.52 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 2.3 mt-10 -92.56 -35.27 13.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.997 172.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.481 HD12 HD11 ' A' ' 39' ' ' LEU . 97.9 mt -73.15 136.47 44.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.919 -178.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.402 ' CD ' HH12 ' A' ' 40' ' ' ARG . 44.5 mt-10 -80.36 98.68 7.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.304 0.574 . . . . 0.0 110.111 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.38 137.22 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.849 -177.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.11 149.34 48.65 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.575 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.92 140.65 29.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.725 0.297 . . . . 0.0 110.258 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.552 ' CG1' ' HB2' ' A' ' 38' ' ' HIS . 64.1 mt -89.52 116.19 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.279 0.561 . . . . 0.0 110.48 178.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.9 ttp85 -129.27 92.23 3.33 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.949 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.51 95.39 10.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.64 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -82.27 81.28 8.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.234 0.54 . . . . 0.0 110.486 -175.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.77 106.48 0.31 Allowed Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.631 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.33 -66.47 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -85.96 33.14 3.6 Favored Glycine 0 N--CA 1.454 -0.132 0 C-N-CA 120.967 -0.635 . . . . 0.0 113.496 -173.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.49 -25.68 11.85 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.13 178.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.463 ' NE2' ' HB ' ' A' ' 30' ' ' VAL . 53.4 tt0 -172.38 160.47 4.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.965 0.412 . . . . 0.0 110.063 -177.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -86.91 5.81 35.14 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.619 0.723 . . . . 0.0 110.63 -176.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.463 ' HB ' ' NE2' ' A' ' 28' ' ' GLN . 14.9 p -64.2 -31.46 53.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.928 -177.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.409 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 28.8 t30 68.58 96.95 0.06 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.317 -175.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -87.64 114.32 24.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.761 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.7 p -80.22 134.68 36.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.502 -177.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.7 m -107.96 31.43 5.52 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.376 0.608 . . . . 0.0 110.209 176.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.56 ' HB2' ' HA ' ' A' ' 78' ' ' ARG . 7.4 p -113.91 38.57 2.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.589 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.505 ' CB ' ' HB3' ' A' ' 75' ' ' GLN . . . -115.86 155.38 28.01 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.759 -175.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -102.09 136.67 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.9 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.552 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 57.1 t-80 -127.2 134.26 50.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.138 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 15' ' ' LEU . 2.7 pt? -136.44 149.61 48.33 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 177.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.402 HH12 ' CD ' ' A' ' 16' ' ' GLU . 13.5 mtp-105 -106.64 110.2 22.32 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.266 176.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -97.09 102.01 13.69 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 174.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -102.08 135.31 43.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.689 -173.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.0 mp -77.19 -43.56 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.543 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -66.66 -39.06 88.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.83 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.0 -8.75 57.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.354 -177.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.2 p -112.69 -172.24 2.01 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 120.803 0.335 . . . . 0.0 110.611 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.41 57.83 0.7 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.083 -0.58 . . . . 0.0 111.718 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.9 mt -75.68 155.0 85.41 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.477 ' HD3' HG13 ' A' ' 8' ' ' VAL . 31.8 Cg_exo -58.45 149.04 77.3 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.271 1.98 . . . . 0.0 111.63 175.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.617 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 45.1 mt-10 -50.25 -54.49 20.82 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.566 -173.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -67.62 -34.2 76.5 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -174.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.417 ' HD1' ' HB2' ' A' ' 49' ' ' PRO . 52.6 m-85 -67.82 -43.29 79.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.858 -0.156 . . . . 0.0 111.276 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.617 ' HE2' ' HA ' ' A' ' 50' ' ' GLU . 59.7 pttt -69.53 -33.88 73.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.685 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 29.4 mm-40 -71.38 -34.93 70.86 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -59.97 -28.86 68.02 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.814 0.34 . . . . 0.0 111.207 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.7 mt -75.6 -35.03 60.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.367 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.21 -15.06 29.88 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -176.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.4 p -88.51 -34.41 17.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.207 0.527 . . . . 0.0 110.829 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.16 123.87 26.53 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.151 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.0 m -79.07 69.68 5.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.391 0.615 . . . . 0.0 109.839 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.467 ' CD2' HD11 ' A' ' 63' ' ' LEU . 7.6 t60 -94.1 133.37 37.65 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -75.72 -8.26 56.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.036 0.445 . . . . 0.0 111.336 -167.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.467 HD11 ' CD2' ' A' ' 61' ' ' HIS . 9.6 mp -75.21 -15.66 60.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.189 173.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.6 mm -77.06 137.41 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 174.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.426 ' OG ' HG13 ' A' ' 69' ' ' VAL . 13.8 p -97.16 -84.75 0.37 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.711 -174.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -133.65 -76.92 0.48 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.823 0.344 . . . . 0.0 111.906 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -104.77 64.65 0.74 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.125 0.488 . . . . 0.0 112.129 -170.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.69 38.11 61.3 Favored Glycine 0 C--N 1.32 -0.325 0 CA-C-N 115.374 -0.83 . . . . 0.0 114.253 169.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.426 HG13 ' OG ' ' A' ' 65' ' ' SER . 7.8 p -134.93 142.52 40.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.071 0.462 . . . . 0.0 109.862 174.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.0 mt -102.0 133.87 44.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.227 -176.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.2 mm -106.8 122.93 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-O 121.155 0.502 . . . . 0.0 110.957 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.451 ' HB ' HD22 ' A' ' 39' ' ' LEU . 5.2 mp -120.98 132.68 69.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.886 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.423 ' HG2' ' CD1' ' A' ' 20' ' ' ILE . 83.3 mttt -119.1 108.83 15.19 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.801 0.81 . . . . 0.0 110.041 173.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.9 124.65 52.7 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.37 -1.286 . . . . 0.0 111.196 -175.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.505 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 13.1 pt20 -156.59 107.9 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.447 0.641 . . . . 0.0 111.439 178.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -74.34 -62.56 1.48 Allowed 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 167.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -147.72 -58.16 0.25 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.645 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.56 ' HA ' ' HB2' ' A' ' 35' ' ' SER . 66.0 ttt180 -157.42 -42.87 0.07 Allowed 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -177.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.9 m -51.09 113.58 0.96 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.314 0.578 . . . . 0.0 112.066 -174.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -67.8 -42.52 81.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.252 -171.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -59.34 -53.48 57.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.277 -174.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.3 pp -68.73 -35.02 76.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.839 0.352 . . . . 0.0 110.36 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -65.66 -39.03 90.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.549 177.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -65.7 -47.46 75.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.09 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -61.98 -38.16 87.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.444 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.46 -32.14 73.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.467 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.98 -38.5 79.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.484 176.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 76.2 mt -60.72 -50.47 80.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.877 175.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.11 -34.61 76.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.571 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.505 ' O ' HG23 ' A' ' 94' ' ' VAL . 22.8 tpt180 -60.85 -49.18 78.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.974 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.2 pp -64.8 -38.82 92.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.564 -177.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.504 HG11 ' HE3' ' A' ' 96' ' ' LYS . 69.0 t -63.0 -41.06 91.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.068 0.461 . . . . 0.0 110.143 177.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.508 ' HA ' ' HG2' ' A' ' 96' ' ' LYS . . . -65.89 -44.96 83.75 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.61 177.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 90' ' ' ARG . 78.3 t -55.34 -43.45 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.397 . . . . 0.0 110.345 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 91' ' ' LEU . 94.8 mt -59.24 -46.3 92.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.508 ' HG2' ' HA ' ' A' ' 93' ' ' ALA . 15.3 ptpt -75.39 -30.18 60.06 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.293 -0.254 . . . . 0.0 111.681 -177.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.48 -31.74 73.08 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.097 0.475 . . . . 0.0 110.98 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 94' ' ' VAL . 11.0 mp -91.47 -38.01 12.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.229 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.4 p -74.52 -37.44 63.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.427 . . . . 0.0 111.195 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -101.42 164.14 11.92 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -89.4 75.18 7.69 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 121.088 0.471 . . . . 0.0 110.36 178.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -129.73 172.83 11.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.241 -176.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -160.64 106.35 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.322 174.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.2 p -126.46 136.47 52.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -175.08 139.36 0.47 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -152.22 122.59 7.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.827 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -132.51 105.73 7.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.067 0.46 . . . . 0.0 111.067 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 38.7 m -151.82 110.14 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.089 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -134.51 104.83 11.0 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-O 121.033 0.444 . . . . 0.0 111.158 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -88.32 130.02 2.37 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 122.964 2.443 . . . . 0.0 112.265 177.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 32.1 m -150.66 118.06 6.05 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -155.94 137.86 14.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.754 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -153.63 160.2 42.33 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.734 0.302 . . . . 0.0 111.255 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.1 m -145.8 -79.41 0.17 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.923 175.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 50.56 91.88 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.824 0.85 . . . . 0.0 113.103 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.22 162.7 39.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.52 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -169.04 137.44 2.0 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.27 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 0.0 OUTLIER -156.93 117.42 3.59 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.184 0.516 . . . . 0.0 110.452 169.428 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 48.7 tp -166.8 136.93 3.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.845 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.4 p -164.25 112.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.966 177.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.4 p -146.57 138.25 24.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.303 -177.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -162.89 122.8 2.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.125 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -171.45 109.47 0.29 Allowed 'General case' 0 C--O 1.233 0.187 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.443 ' O ' ' HD2' ' A' ' 125' ' ' LYS . 45.4 mt-30 -141.51 88.07 2.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.913 172.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.443 ' HD2' ' O ' ' A' ' 124' ' ' GLN . 4.6 tptp -138.65 115.61 10.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.673 0.273 . . . . 0.0 110.739 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.4 m -156.67 125.25 5.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.851 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.6 t -161.94 97.34 1.04 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.233 0.539 . . . . 0.0 110.759 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.23 143.92 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.939 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -163.94 103.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 0.0 111.115 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -155.61 121.79 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.198 176.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.45 HD22 ' O ' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -159.2 133.15 7.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.021 0.438 . . . . 0.0 110.635 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -173.43 158.36 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.48 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 152.32 146.67 4.4 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.664 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -135.63 102.82 5.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.9 m -125.96 122.93 63.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.852 0.358 . . . . 0.0 111.406 -176.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.414 ' HA ' ' HE ' ' A' ' 136' ' ' ARG . 3.2 tpm_? -177.6 118.71 0.1 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.162 177.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -147.32 83.67 7.64 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -96.39 148.41 1.15 Allowed 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.286 2.658 . . . . 0.0 113.757 -177.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 61.9 mt -148.08 135.21 20.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.69 172.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -158.96 100.09 1.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.143 0.496 . . . . 0.0 111.119 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 56.4 tp -139.35 108.24 5.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.639 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.19 124.95 16.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.054 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -147.45 108.3 4.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -121.72 154.61 36.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.897 0.379 . . . . 0.0 110.799 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.25 154.58 33.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.767 -174.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -132.32 96.48 3.88 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.846 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -130.21 140.85 50.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.988 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 24.6 t60 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.441 -0.79 . . . . 0.0 109.592 173.033 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ttt . . . . . 0 N--CA 1.483 1.221 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp -106.55 134.1 49.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 0.0 110.835 -177.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.97 116.78 30.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.11 0.481 . . . . 0.0 110.64 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.471 HG21 ' N ' ' A' ' 5' ' ' SER . 30.8 mm -100.13 163.48 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.738 -179.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.472 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 7.1 t -62.63 162.47 10.53 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.496 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 1.6 mmp_? 69.86 28.17 4.35 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 122.472 0.309 . . . . 0.0 110.787 -175.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 t 48.96 31.46 3.28 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.356 1.063 . . . . 0.0 112.444 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -96.22 114.37 32.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.003 176.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -94.13 144.06 25.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.855 0.359 . . . . 0.0 110.332 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.405 HG23 ' HG3' ' A' ' 14' ' ' GLU . 52.0 mt -123.11 152.51 27.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.443 ' HB2' ' HG2' ' A' ' 14' ' ' GLU . . . -62.0 175.23 0.72 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.161 0.505 . . . . 0.0 111.835 -176.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -82.18 -55.35 4.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.534 -168.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -85.2 29.48 0.65 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.391 0.615 . . . . 0.0 110.436 -175.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.443 ' HG2' ' HB2' ' A' ' 11' ' ' ALA . 6.6 mm-40 -84.08 -24.5 30.33 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 121.11 0.481 . . . . 0.0 110.029 175.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.7 mt -73.9 122.9 23.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.051 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -87.04 101.68 13.69 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.533 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.9 mm -87.8 125.07 41.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.976 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p -121.89 138.56 54.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.532 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.56 132.31 40.83 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 176.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.52 HD13 ' HB2' ' A' ' 38' ' ' HIS . 26.6 mt -89.43 139.67 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 34' ' ' SER . 36.6 ttm180 -157.29 12.01 0.22 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.964 0.411 . . . . 0.0 110.499 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -148.11 162.74 38.8 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.763 -174.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 71.93 103.8 0.07 Allowed 'General case' 0 N--CA 1.467 0.408 0 O-C-N 124.202 0.939 . . . . 0.0 111.32 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.15 50.65 0.88 Allowed Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.99 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.51 168.64 19.26 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.43 72.07 0.51 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.389 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.53 1.25 40.41 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.376 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 66.72 171.47 0.25 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.913 0.485 . . . . 0.0 111.727 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.5 t60 64.29 16.01 9.82 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.434 172.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.1 p -115.73 154.13 17.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.133 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -105.15 -177.48 3.38 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -76.55 2.98 12.37 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.456 HG22 ' OE1' ' A' ' 75' ' ' GLN . 8.1 m 56.64 41.57 28.23 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.63 0.729 . . . . 0.0 110.789 177.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.465 ' HA ' ' HA ' ' A' ' 21' ' ' ARG . 4.5 p -67.14 120.53 13.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.293 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m 69.66 78.42 0.2 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.302 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.416 ' HB2' ' HB3' ' A' ' 75' ' ' GLN . . . -145.96 165.12 29.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.534 178.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.491 HG22 ' HA ' ' A' ' 84' ' ' ARG . 29.5 mm -100.04 127.46 52.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.222 0.534 . . . . 0.0 110.923 -176.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.52 ' HB2' HD13 ' A' ' 20' ' ' ILE . 57.5 t-80 -136.76 131.55 33.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.212 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.455 HD13 ' CD2' ' A' ' 91' ' ' LEU . 2.3 pt? -145.45 150.83 37.22 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.972 -0.455 . . . . 0.0 110.541 176.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -127.65 149.14 50.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.539 -179.687 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -125.48 113.84 18.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.858 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -101.18 151.66 21.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.797 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.433 HD11 ' N ' ' A' ' 43' ' ' ILE . 3.1 mp -70.95 -44.53 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.443 -176.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -76.53 0.74 18.84 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.094 0.474 . . . . 0.0 110.735 -176.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.72 -4.61 56.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.904 0.383 . . . . 0.0 110.268 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 t -155.74 -165.16 1.89 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.79 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -126.15 83.57 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.031 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.9 mt -76.16 154.26 84.45 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 120.541 0.21 . . . . 0.0 111.102 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.68 148.75 87.28 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.853 2.369 . . . . 0.0 111.807 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -56.8 -45.54 82.15 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -174.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.402 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 95.6 m-85 -59.25 -43.5 92.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.978 0.418 . . . . 0.0 111.115 -179.333 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.403 ' HE1' ' HB2' ' A' ' 98' ' ' LEU . 63.1 t80 -74.97 -46.61 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.718 -177.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -51.96 -50.46 61.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.128 -177.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -65.68 -41.53 92.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.575 -175.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 51' ' ' TYR . 94.3 mtt180 -66.94 -23.59 65.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.902 -176.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.462 HD21 ' HG ' ' A' ' 98' ' ' LEU . 91.0 mt -63.65 -32.14 73.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.324 . . . . 0.0 110.976 176.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -86.4 -31.65 21.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.045 0.45 . . . . 0.0 110.365 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.8 m -71.63 -43.07 66.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.301 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.73 105.78 17.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.863 0.363 . . . . 0.0 110.412 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.1 t -78.99 67.54 4.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.548 0.69 . . . . 0.0 109.205 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -60.78 137.77 58.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -57.67 -31.65 66.55 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -167.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.506 HD11 ' HD3' ' A' ' 105' ' ' ARG . 49.8 mt -76.99 -6.97 54.72 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.464 ' CD1' HG12 ' A' ' 70' ' ' ILE . 36.7 mm -81.48 131.41 33.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 168.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.5 ' HB2' HD11 ' A' ' 71' ' ' ILE . 13.6 t -75.43 -71.62 0.35 Allowed 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.671 -0.812 . . . . 0.0 109.995 -174.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -165.26 -42.38 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.993 0.425 . . . . 0.0 110.692 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.64 -3.19 17.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.072 -176.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.83 3.5 45.93 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.365 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 p -102.15 143.99 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -175.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.464 HG12 ' CD1' ' A' ' 64' ' ' ILE . 4.3 mt -88.92 126.28 41.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.242 -177.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.5 HD11 ' HB2' ' A' ' 65' ' ' SER . 1.8 mp -114.42 119.5 61.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.769 0.319 . . . . 0.0 110.706 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.411 HD13 ' N ' ' A' ' 72' ' ' ILE . 4.5 mp -123.68 126.1 72.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.965 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.61 143.81 49.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 175.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.45 135.43 31.99 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.526 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.5 ' O ' ' HD2' ' A' ' 110' ' ' PRO . 19.4 pt20 -157.71 104.08 1.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.131 0.491 . . . . 0.0 110.825 -176.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -111.26 -53.55 2.69 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.157 0.503 . . . . 0.0 110.356 171.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -142.38 -171.84 3.48 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.79 11.88 5.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.852 0.358 . . . . 0.0 111.056 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.2 m -88.68 97.39 11.1 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.401 ' HA ' ' HB2' ' A' ' 83' ' ' ASN . 2.5 mp0 -70.48 -20.19 62.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.136 -174.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -57.73 -53.23 60.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.865 0.364 . . . . 0.0 110.512 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.839 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 4.1 pp -76.74 -32.34 57.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.172 0.51 . . . . 0.0 110.965 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.401 ' HB2' ' HA ' ' A' ' 80' ' ' GLN . 91.9 m-20 -61.33 -45.16 95.57 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.05 175.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.491 ' HA ' HG22 ' A' ' 37' ' ' ILE . 36.8 ttm180 -68.17 -48.4 65.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.693 -178.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.839 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 1.9 pt-20 -57.85 -38.91 76.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 -177.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.571 ' N ' ' HG3' ' A' ' 85' ' ' GLU . . . -67.47 -45.26 76.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.543 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.66 91.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.626 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 79.0 mt -63.95 -51.84 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.934 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.87 -39.69 78.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.802 0.334 . . . . 0.0 111.254 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.518 ' O ' HG23 ' A' ' 94' ' ' VAL . 7.6 mpt_? -63.37 -47.5 81.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.374 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.5 pp -66.38 -38.96 88.73 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.777 -176.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.525 HG13 ' HE2' ' A' ' 96' ' ' LYS . 88.7 t -61.86 -40.2 86.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.27 178.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.84 -46.71 88.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 175.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 90' ' ' ARG . 71.8 t -60.79 -43.03 94.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.055 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 91' ' ' LEU . 65.6 mt -55.66 -34.3 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.547 176.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.525 ' HE2' HG13 ' A' ' 92' ' ' VAL . 52.6 mtmt -81.31 -28.29 34.66 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.73 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.2 -26.36 66.31 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.462 ' HG ' HD21 ' A' ' 56' ' ' LEU . 4.5 mm? -73.33 -17.07 61.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.808 0.337 . . . . 0.0 111.449 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.5 p -115.0 -52.6 2.69 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.042 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.08 124.4 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 171.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -53.25 141.36 23.98 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -170.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -45.61 121.51 3.11 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 114.184 -1.371 . . . . 0.0 112.643 -173.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -105.17 -76.84 0.59 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.768 177.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.2 t -160.5 120.33 2.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.135 0.493 . . . . 0.0 111.158 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.506 ' HD3' HD11 ' A' ' 63' ' ' LEU . 8.0 tmm_? -117.45 108.85 16.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 175.413 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -114.92 136.93 52.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 -170.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -155.02 153.15 30.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.84 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.1 p -126.93 -176.58 3.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.956 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -171.03 83.23 0.51 Allowed Pre-proline 0 CA--C 1.533 0.307 0 CA-C-O 120.623 0.249 . . . . 0.0 111.243 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.5 ' HD2' ' O ' ' A' ' 75' ' ' GLN . 30.7 Cg_endo -66.17 131.93 28.29 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.326 2.017 . . . . 0.0 111.762 174.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.4 m -105.17 95.53 5.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.029 -176.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -145.91 160.39 41.89 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.321 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 74.73 143.07 0.07 Allowed 'General case' 0 N--CA 1.471 0.588 0 O-C-N 124.121 0.888 . . . . 0.0 112.662 176.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.5 t -162.22 160.72 27.32 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.672 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -165.56 124.58 1.68 Allowed 'General case' 0 C--O 1.234 0.259 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -174.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -149.93 140.64 22.64 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.696 0.623 . . . . 0.0 110.498 173.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -150.21 144.61 25.74 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -141.25 146.33 36.69 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.7 tp -161.99 130.32 4.18 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.452 0.167 . . . . 0.0 110.826 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.6 t -167.33 124.1 1.17 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.471 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 43.6 p -176.74 107.84 0.07 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.271 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.41 ' HD3' ' C ' ' A' ' 122' ' ' LYS . 1.8 tmtp? -170.6 122.91 0.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 174.311 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -154.54 131.33 10.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.441 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -154.71 144.39 21.52 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -151.24 133.69 15.47 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.618 0.247 . . . . 0.0 110.893 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.3 m -153.96 131.23 11.18 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 122.377 0.271 . . . . 0.0 110.605 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 34.3 p -162.01 135.63 6.39 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.099 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.0 m -137.59 114.62 12.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.049 0.452 . . . . 0.0 111.114 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.866 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -122.24 132.94 54.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.319 178.387 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -150.03 148.38 28.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.059 175.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.9 tp -154.77 162.59 41.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.54 0.209 . . . . 0.0 110.555 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -155.78 -179.95 8.62 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -155.17 174.35 33.35 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.129 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -165.21 139.03 4.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 13.1 p -172.9 153.66 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -154.48 156.81 37.39 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -167.38 87.71 0.76 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.938 0.399 . . . . 0.0 110.571 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -96.18 128.07 0.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.515 2.81 . . . . 0.0 112.675 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 51.4 tp -146.93 131.74 18.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.032 0.444 . . . . 0.0 111.072 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -126.25 159.73 32.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 173.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.36 133.94 41.18 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -79.87 177.81 8.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.123 0.487 . . . . 0.0 111.563 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -148.08 139.83 23.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.085 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -135.11 87.24 2.32 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 174.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -99.11 97.92 8.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.948 -176.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -85.69 128.42 34.78 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.096 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -59.99 120.11 9.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.845 172.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.255 -177.867 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.569 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 3.5 mp -82.49 125.07 39.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.113 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.56 115.68 29.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.721 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.673 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 26.7 mm -99.58 164.79 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.439 ' N ' HG21 ' A' ' 4' ' ' ILE . 7.5 t -74.32 -177.24 2.95 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.527 ' HG2' HG21 ' A' ' 7' ' ' THR . 22.8 ttt180 67.65 -77.27 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.19 0.596 . . . . 0.0 110.92 -178.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.527 HG21 ' HG2' ' A' ' 6' ' ' ARG . 15.0 t -174.19 19.68 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.034 0.445 . . . . 0.0 111.057 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.673 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 18.4 t -99.57 144.99 11.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 122.198 -0.314 . . . . 0.0 110.828 -173.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.7 m -148.25 149.65 32.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.043 0.449 . . . . 0.0 110.349 176.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.569 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.1 mp -124.48 127.92 73.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.743 -178.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.539 ' HB2' ' HG2' ' A' ' 14' ' ' GLU . . . -68.87 155.56 40.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.993 0.425 . . . . 0.0 110.947 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.46 -29.86 71.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.193 -174.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -86.78 -6.8 58.71 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.72 -174.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.539 ' HG2' ' HB2' ' A' ' 11' ' ' ALA . 12.7 mm-40 -75.14 -41.75 57.68 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 120.975 0.417 . . . . 0.0 110.727 -177.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.8 mt -85.33 143.67 28.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.757 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.53 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 45.7 mt-10 -83.0 112.18 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.241 178.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.7 mm -96.95 112.31 28.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 172.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.09 144.67 48.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.296 0.57 . . . . 0.0 112.1 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.5 127.69 33.56 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.506 HD13 ' HB2' ' A' ' 36' ' ' ALA . 3.9 mp -67.44 113.17 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.825 0.345 . . . . 0.0 110.157 -176.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 21' ' ' ARG . 4.2 tpt180 -82.57 91.15 6.88 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 176.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.9 44.43 1.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.377 -174.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -61.47 104.84 0.45 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.414 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -168.9 51.84 0.22 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.803 ' HB2' ' HA ' ' A' ' 31' ' ' ASN . . . -94.86 -40.25 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.968 0.413 . . . . 0.0 110.054 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.8 -64.58 1.02 Allowed Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.41 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 163.49 -162.81 35.23 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.033 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 61.98 -163.22 0.27 Allowed 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 120.951 0.405 . . . . 0.0 110.826 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -84.15 5.0 27.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.56 0.695 . . . . 0.0 110.219 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.1 t -89.11 5.69 4.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.775 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.803 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 81.6 m-20 -61.14 133.43 55.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.373 0.606 . . . . 0.0 111.469 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.72 163.73 34.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.328 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 t -144.17 -169.92 3.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.719 0.295 . . . . 0.0 110.287 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -90.66 150.22 21.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.522 0.677 . . . . 0.0 112.357 -173.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.8 m -146.54 76.62 1.44 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 169.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.538 ' CB ' ' HB3' ' A' ' 75' ' ' GLN . . . -156.23 164.43 38.36 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.41 -169.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.5 mm -113.0 121.81 65.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.522 177.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -112.74 127.13 56.06 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.605 HD23 ' HB ' ' A' ' 72' ' ' ILE . 2.5 pt? -136.78 149.2 47.66 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.877 0.37 . . . . 0.0 111.136 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -102.71 114.45 28.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.088 174.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.519 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 49.3 t80 -96.94 100.84 12.35 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 170.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -106.47 118.64 37.17 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.076 -170.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.4 mt -70.2 -44.17 78.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.951 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -59.39 -38.7 81.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.172 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.24 -15.89 58.35 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -177.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 p -107.93 176.35 5.17 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.286 0.565 . . . . 0.0 110.934 -177.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.52 56.83 0.5 Allowed Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.654 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.23 148.54 91.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.929 -0.136 . . . . 0.0 110.859 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.61 145.39 97.7 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.674 2.25 . . . . 0.0 111.376 176.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.86 -33.16 73.69 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -174.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -62.35 -33.67 75.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 111.205 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -79.0 -42.76 25.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.151 0.5 . . . . 0.0 109.927 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.95 -46.37 89.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.446 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.405 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 18.0 mm-40 -61.6 -43.16 99.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.673 -177.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -60.22 -39.19 85.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.613 0.244 . . . . 0.0 111.424 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.503 HD22 ' HG ' ' A' ' 98' ' ' LEU . 95.3 mt -71.63 -28.63 63.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.482 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.4 mt -90.06 -26.64 20.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.744 -177.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.0 p -80.19 -48.53 12.99 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.231 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.16 111.6 15.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.627 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 m -77.22 76.76 3.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.27 0.557 . . . . 0.0 110.828 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.6 134.99 33.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.197 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -61.42 -12.46 14.59 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -175.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.38 -21.88 62.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.818 0.342 . . . . 0.0 110.451 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.59 HD12 HG12 ' A' ' 70' ' ' ILE . 36.1 mm -79.64 134.39 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 174.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.422 ' OG ' HD11 ' A' ' 71' ' ' ILE . 22.5 m -78.24 -79.26 0.13 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.21 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -153.43 -54.28 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.671 0.272 . . . . 0.0 111.508 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -79.6 -15.76 57.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.185 0.516 . . . . 0.0 111.32 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 120.42 16.92 4.53 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.124 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.96 144.22 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.59 HG12 HD12 ' A' ' 64' ' ' ILE . 42.0 mt -103.7 122.41 56.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.422 HD11 ' OG ' ' A' ' 65' ' ' SER . 1.7 mp -108.34 120.82 60.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.29 0.567 . . . . 0.0 110.46 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.605 ' HB ' HD23 ' A' ' 39' ' ' LEU . 4.9 mp -113.55 131.48 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.806 178.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -119.33 99.87 6.96 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.9 125.92 50.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.791 -175.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.538 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 10.2 pt20 -154.76 104.44 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.811 -178.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -117.62 -38.66 3.25 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.206 175.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.429 ' HB3' HD22 ' A' ' 82' ' ' LEU . 13.0 t80 -147.24 176.21 10.16 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -176.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -66.93 -21.46 65.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 111.039 176.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.426 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 14.1 m -73.02 104.94 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.47 -20.17 66.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.191 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -59.91 -53.5 57.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.087 0.47 . . . . 0.0 110.903 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.429 HD22 ' HB3' ' A' ' 77' ' ' PHE . 4.2 pp -72.33 -34.63 68.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.432 -178.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -61.92 -39.52 92.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.293 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.2 tpp180 -61.37 -51.55 68.34 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.752 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -57.14 -46.09 83.0 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.42 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.501 ' O ' ' HB2' ' A' ' 90' ' ' ARG . . . -60.85 -42.0 96.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.482 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.4 83.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.842 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.642 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 74.9 mt -66.86 -49.12 77.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.727 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.79 73.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.83 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.6 ' O ' HG22 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -65.04 -44.16 89.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.16 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.3 pp -69.51 -34.85 74.88 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -178.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.515 ' HA ' HD12 ' A' ' 95' ' ' ILE . 66.6 t -65.6 -39.06 83.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.084 176.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.439 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -63.22 -38.37 90.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 175.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 90' ' ' ARG . 89.4 t -60.65 -41.74 89.25 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.079 175.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.515 HD12 ' HA ' ' A' ' 92' ' ' VAL . 84.5 mt -55.15 -46.74 77.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.026 176.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -64.32 -43.81 93.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.941 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.553 ' CG ' ' HA ' ' A' ' 94' ' ' VAL . 9.0 pt-20 -74.46 -27.64 60.68 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.876 -176.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.503 ' HG ' HD22 ' A' ' 56' ' ' LEU . 4.0 mm? -82.81 -30.42 28.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.5 p -92.69 4.98 52.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.101 0.477 . . . . 0.0 110.817 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.11 119.36 20.71 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.409 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -77.71 84.27 4.05 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 28.5 mt-30 -137.62 171.16 14.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.697 -175.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 1.031 ' HA ' ' HB1' ' A' ' 113' ' ' ALA . 91.8 mttt -76.99 22.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.8 m -85.76 98.4 10.7 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.403 ' HG2' HG23 ' A' ' 111' ' ' THR . 26.9 mtp-105 -120.12 -87.11 0.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.327 -176.242 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 34.7 ttm180 63.64 179.5 0.16 Allowed 'General case' 0 CA--C 1.541 0.618 0 O-C-N 123.701 0.625 . . . . 0.0 109.64 -174.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 69.48 -160.5 0.17 Allowed 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.442 0.297 . . . . 0.0 110.798 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.3 m -116.21 5.59 13.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.281 0.563 . . . . 0.0 111.357 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.494 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 98.6 mtt180 -109.47 126.28 29.52 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -174.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 109' ' ' ARG . 3.3 Cg_exo -74.56 98.44 1.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.436 2.757 . . . . 0.0 113.392 -174.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.403 HG23 ' HG2' ' A' ' 105' ' ' ARG . 3.8 t -94.19 154.64 17.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.515 -0.766 . . . . 0.0 108.995 170.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 49.8 mtt180 -69.18 132.29 46.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.686 0.279 . . . . 0.0 110.668 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 1.031 ' HB1' ' HA ' ' A' ' 103' ' ' LYS . . . -146.16 89.6 1.89 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.987 -174.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.01 -47.78 2.86 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.376 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 37.8 mtmm -90.99 155.34 18.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.037 0.446 . . . . 0.0 111.792 -175.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -164.68 104.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.382 175.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -86.64 91.62 8.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 173.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 118' ' ' ARG . 20.8 ttm-85 -107.8 121.38 44.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.237 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -163.52 156.51 18.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.805 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.3 m -151.0 117.59 5.75 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 173.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.477 ' O ' ' HB2' ' A' ' 122' ' ' LYS . 41.8 t -127.63 80.05 1.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.711 -173.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 121' ' ' SER . 17.3 tptp 176.41 89.05 0.01 OUTLIER 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.898 170.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -129.4 130.58 46.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.936 177.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -145.47 88.09 1.83 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.438 0.637 . . . . 0.0 110.443 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -95.71 132.15 41.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.463 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.4 m -150.53 100.06 2.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.565 176.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.6 t -147.08 99.93 3.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.652 0.263 . . . . 0.0 110.837 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.2 88.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.069 0.461 . . . . 0.0 111.269 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -164.67 120.95 1.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -149.21 158.97 44.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.489 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.5 pp -158.41 128.57 6.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.168 0.509 . . . . 0.0 110.881 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -137.48 132.64 33.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.317 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 161.77 107.28 0.22 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 119.689 -1.243 . . . . 0.0 113.836 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -142.78 132.83 24.38 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 173.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.1 m -102.41 163.58 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.073 0.463 . . . . 0.0 111.843 -173.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.466 ' HA ' ' NE ' ' A' ' 136' ' ' ARG . 3.5 mmp_? -120.53 130.67 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.936 177.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -116.1 97.88 50.26 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -86.16 137.86 5.47 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 123.436 2.757 . . . . 0.0 112.474 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.8 mp -112.23 153.14 27.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.125 0.488 . . . . 0.0 110.762 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -116.49 130.89 57.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.26 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 5.7 tt -157.92 114.69 2.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.999 0.428 . . . . 0.0 110.949 -176.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -156.04 112.78 3.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.729 169.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -89.99 84.27 6.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -81.51 107.6 14.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.17 -175.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -112.22 140.71 46.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.977 0.418 . . . . 0.0 111.071 -175.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -110.9 -168.5 1.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.781 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -140.09 106.78 5.35 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 175.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.961 177.278 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.0 ttp . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.571 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 34.6 mm -76.04 111.67 12.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.899 0.38 . . . . 0.0 110.3 -177.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.2 114.87 27.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.628 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.405 HG23 ' N ' ' A' ' 5' ' ' SER . 29.3 mm -99.52 160.98 3.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 8.4 t -64.03 147.79 51.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 5' ' ' SER . 0.1 OUTLIER 67.06 -167.08 0.21 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.455 -173.83 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 t -81.37 47.52 1.05 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.474 0.654 . . . . 0.0 111.514 -175.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.1 t -122.02 135.68 61.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.1 m -152.46 158.57 42.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.539 0.209 . . . . 0.0 110.687 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.571 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 40.3 mt -121.08 125.97 74.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.105 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.504 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -72.37 162.27 29.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.118 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -62.28 -44.13 97.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.299 -175.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -72.98 -15.99 61.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.504 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 14.0 mm-40 -80.16 -12.86 59.61 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 121.165 0.507 . . . . 0.0 110.768 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.469 HD22 HG13 ' A' ' 2' ' ' ILE . 96.8 mt -84.5 129.3 34.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.642 179.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -85.32 94.99 9.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.009 0.433 . . . . 0.0 109.914 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.8 mm -95.15 123.92 47.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.932 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.88 147.72 46.63 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.8 137.99 31.88 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.644 ' O ' ' HA ' ' A' ' 34' ' ' SER . 50.6 mt -81.69 108.99 15.37 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 CA-C-O 120.996 0.427 . . . . 0.0 110.259 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -104.8 112.18 25.19 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.525 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.495 ' HB2' ' OG1' ' A' ' 33' ' ' THR . . . -98.12 179.65 4.69 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.345 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -66.34 148.51 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.887 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.22 143.54 16.54 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.324 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.435 ' HB2' ' HA ' ' A' ' 30' ' ' VAL . . . -57.58 132.96 54.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.655 0.264 . . . . 0.0 111.063 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.98 159.77 20.13 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.696 -176.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.64 -135.26 15.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.632 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -87.82 157.84 18.9 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 30.0 m80 60.21 94.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.588 0.708 . . . . 0.0 110.294 -174.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.435 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 27.3 t -107.68 136.19 43.8 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.615 -176.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -143.01 123.04 13.58 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.661 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -101.61 123.41 45.58 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 175.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.495 ' OG1' ' HB2' ' A' ' 22' ' ' ALA . 4.5 p -101.95 120.79 40.97 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.239 0.542 . . . . 0.0 111.224 -177.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.644 ' HA ' ' O ' ' A' ' 20' ' ' ILE . 38.4 m -145.76 21.46 1.46 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.031 177.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.2 p -103.59 68.99 0.96 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.173 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.555 ' HB2' ' HB ' ' A' ' 20' ' ' ILE . . . -154.69 159.03 40.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.786 177.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.518 HD12 ' HB3' ' A' ' 80' ' ' GLN . 44.6 mm -100.57 131.44 48.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.81 0.338 . . . . 0.0 111.49 -174.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.458 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 52.2 t-80 -138.52 119.29 14.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.937 176.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -129.28 149.84 50.91 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.556 ' HG3' HG13 ' A' ' 71' ' ' ILE . 35.4 ttp180 -132.33 151.78 51.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.143 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.422 ' HB3' HD12 ' A' ' 70' ' ' ILE . 88.1 t80 -151.58 129.74 11.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.944 0.402 . . . . 0.0 110.699 177.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -105.46 138.26 41.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.05 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.567 HG21 ' HB2' ' A' ' 48' ' ' LEU . 2.3 mp -63.14 -43.77 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.893 -178.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -29.36 70.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.437 -177.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.74 -45.68 91.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.1 m -102.31 -2.1 29.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -177.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.23 68.98 1.42 Allowed Glycine 0 C--N 1.319 -0.394 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.658 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.567 ' HB2' HG21 ' A' ' 43' ' ' ILE . 89.0 mt -75.37 149.11 84.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.606 0.241 . . . . 0.0 110.667 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.23 159.28 27.17 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.887 2.392 . . . . 0.0 112.302 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -66.28 -34.21 77.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.713 -176.333 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -56.49 -35.9 68.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.01 0.433 . . . . 0.0 110.89 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.46 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 88.3 m-85 -81.54 -50.14 9.73 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.215 176.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -55.0 -46.95 75.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.122 -174.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.4 mm100 -63.5 -40.63 97.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.569 0.223 . . . . 0.0 111.286 -176.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.415 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 79.6 mtt180 -74.98 -31.44 61.44 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.141 -0.224 . . . . 0.0 111.443 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.5 HD22 HD22 ' A' ' 98' ' ' LEU . 96.2 mt -67.32 -29.42 68.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.767 0.318 . . . . 0.0 110.862 177.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.7 mt -89.41 -28.47 19.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.562 -178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.415 ' OG1' ' HA ' ' A' ' 55' ' ' ARG . 11.9 p -80.79 -37.8 29.62 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.758 0.313 . . . . 0.0 111.382 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.08 88.44 6.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 120.94 0.4 . . . . 0.0 110.021 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -69.44 91.33 0.56 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.049 -177.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.34 152.11 24.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.21 173.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -78.63 -16.22 57.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.369 0.604 . . . . 0.0 109.665 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.6 mt -67.91 -20.03 65.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.152 170.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.498 HD11 HG22 ' A' ' 70' ' ' ILE . 13.7 mm -88.01 126.15 41.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.283 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.524 ' HB2' HD11 ' A' ' 71' ' ' ILE . 21.0 t -68.6 -77.78 0.07 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.663 -174.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -174.03 -44.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.742 0.306 . . . . 0.0 110.882 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -82.4 35.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.616 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.33 32.56 75.98 Favored Glycine 0 C--O 1.227 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 113.12 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.0 p -131.48 144.63 36.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.498 HG22 HD11 ' A' ' 64' ' ' ILE . 27.6 pt -101.05 138.62 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 -177.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.556 HG13 ' HG3' ' A' ' 40' ' ' ARG . 2.7 mp -132.83 120.3 40.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.913 0.387 . . . . 0.0 110.047 177.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.28 125.41 74.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.095 0.474 . . . . 0.0 110.201 175.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.542 ' HB2' HD12 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -119.51 150.82 39.61 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 171.492 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.08 155.79 34.69 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.308 0.575 . . . . 0.0 112.273 -174.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.448 ' O ' ' HG3' ' A' ' 75' ' ' GLN . 2.4 pt20 -153.94 101.67 2.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.715 173.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -108.48 -36.75 6.14 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.84 -177.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -170.86 164.99 7.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -174.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 78' ' ' ARG . 7.6 mmt180 -66.99 -1.88 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 m -91.96 90.6 7.49 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 171.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.518 ' HB3' HD12 ' A' ' 37' ' ' ILE . 24.7 mp0 -64.06 -25.3 68.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.846 -174.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.58 -47.06 83.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.122 0.487 . . . . 0.0 110.441 176.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -35.1 77.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.986 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.537 ' N ' HD21 ' A' ' 83' ' ' ASN . 0.8 OUTLIER -67.61 -36.69 81.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.182 0.515 . . . . 0.0 109.845 179.632 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 12.8 ttm180 -63.0 -49.57 74.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.043 177.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -56.59 -42.7 79.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.34 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.16 98.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.26 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.94 96.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.753 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.609 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 93.6 mt -65.12 -51.0 71.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.825 177.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.81 -36.61 72.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.494 ' O ' HG22 ' A' ' 94' ' ' VAL . 23.7 tpt180 -57.44 -52.07 66.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.096 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.1 pp -67.07 -38.74 86.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.864 -175.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.3 t -62.57 -44.07 99.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.524 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.521 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -61.69 -45.7 92.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 90' ' ' ARG . 82.7 t -57.11 -46.08 84.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.093 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 91' ' ' LEU . 84.6 mt -58.6 -45.88 90.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.817 0.341 . . . . 0.0 110.553 178.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -69.52 -19.89 63.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.786 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 8.5 mm-40 -75.93 -48.95 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.034 0.445 . . . . 0.0 110.467 176.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.5 HD22 HD22 ' A' ' 56' ' ' LEU . 11.1 mp -71.21 -40.81 70.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.166 -177.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.8 p -108.63 42.11 1.46 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.042 0.449 . . . . 0.0 111.212 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.46 140.2 58.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.813 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.619 ' HG2' ' H ' ' A' ' 102' ' ' GLN . 15.7 tt0 -89.33 -169.01 2.34 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.619 ' H ' ' HG2' ' A' ' 101' ' ' GLU . 30.3 mm-40 -71.81 102.42 2.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.118 0.485 . . . . 0.0 110.839 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -88.59 178.96 6.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.084 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.1 m 67.22 10.88 8.05 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.384 0.673 . . . . 0.0 112.004 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -87.28 164.28 16.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.27 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 106' ' ' ARG . 25.8 ttt180 -111.33 140.96 45.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.235 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.74 111.33 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 173.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' THR . . . . . 0.44 HG23 ' HG3' ' A' ' 109' ' ' ARG . 9.8 t -76.04 0.87 17.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.574 0.702 . . . . 0.0 111.403 -176.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.44 ' HG3' HG23 ' A' ' 108' ' ' THR . 86.5 mtt180 -129.28 92.62 38.3 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.942 -179.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -82.88 -179.88 4.78 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.264 2.643 . . . . 0.0 111.825 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.6 m 71.43 159.15 0.2 Allowed 'General case' 0 CA--C 1.538 0.517 0 O-C-N 123.442 0.464 . . . . 0.0 111.408 177.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.574 ' HA ' ' HE ' ' A' ' 112' ' ' ARG . 2.8 mmp_? 78.58 -23.74 0.24 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.809 0.843 . . . . 0.0 111.858 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.67 111.19 1.52 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.9 m -112.02 102.85 11.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.353 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.2 137.95 54.65 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.055 0.455 . . . . 0.0 111.136 -177.565 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -125.57 136.2 53.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.836 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -144.3 152.37 40.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.868 0.366 . . . . 0.0 111.128 -177.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -162.4 149.87 13.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.013 174.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 1.7 pt? -153.07 105.58 2.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.201 0.524 . . . . 0.0 110.184 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.7 p -152.58 98.91 2.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.605 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.407 ' O ' ' HB2' ' A' ' 122' ' ' LYS . 87.1 p -164.03 168.44 19.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.521 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.621 ' HZ3' ' HB2' ' A' ' 122' ' ' LYS . 8.8 mtmp? 74.26 99.73 0.07 Allowed 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.972 0.795 . . . . 0.0 111.819 177.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -143.67 117.03 9.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.601 174.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -155.2 127.46 7.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.765 0.317 . . . . 0.0 110.988 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -132.05 126.7 34.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.946 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.9 t 179.35 108.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.569 0.543 . . . . 0.0 110.33 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 32.2 m -143.49 108.07 4.85 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 4.8 p -131.82 88.93 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 122.145 0.974 . . . . 0.0 111.832 -176.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -138.77 91.71 2.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.881 174.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -122.8 128.35 50.32 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.22 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -132.36 147.0 52.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.996 0.427 . . . . 0.0 110.337 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.725 ' HA ' ' HE ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -118.94 141.13 48.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.214 -179.024 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -110.36 -159.47 17.11 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.034 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.533 ' O ' ' HD2' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -149.61 127.26 11.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.262 0.554 . . . . 0.0 110.772 177.526 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 42.2 t -101.35 85.48 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.451 0.644 . . . . 0.0 110.086 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -162.07 111.79 1.52 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.385 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -149.29 89.71 4.78 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.327 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -92.64 157.61 2.91 Favored 'Trans proline' 0 N--CA 1.448 -1.173 0 C-N-CA 123.195 2.596 . . . . 0.0 111.683 174.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.8 mp -98.44 126.58 44.03 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -72.26 137.29 46.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.98 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 5.4 tt -78.3 95.9 5.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.19 0.519 . . . . 0.0 109.856 -177.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -99.28 94.22 6.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.007 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -135.56 104.0 5.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.181 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -65.47 171.72 3.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.233 176.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -61.16 148.45 40.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.122 0.487 . . . . 0.0 112.152 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -51.74 133.38 31.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.669 -175.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -98.04 132.51 43.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.568 174.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 35.3 p80 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.805 177.062 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptm . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.519 HD13 HD13 ' A' ' 15' ' ' LEU . 4.4 mp -91.99 122.03 43.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.988 -176.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.54 108.07 20.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.677 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.485 ' HB ' ' O ' ' A' ' 8' ' ' VAL . 42.1 mm -95.8 159.87 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.436 ' N ' HG22 ' A' ' 4' ' ' ILE . 16.7 m -65.91 -178.99 0.65 Allowed 'General case' 0 C--O 1.239 0.545 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -175.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 69.91 -76.91 0.06 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.019 -177.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.6 t -178.55 24.27 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.946 0.403 . . . . 0.0 110.798 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.485 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 44.5 t -116.76 117.26 54.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.613 0.244 . . . . 0.0 110.949 -174.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 m -115.39 150.47 36.32 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 174.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.63 130.28 74.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.97 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.458 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -68.18 129.67 40.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.513 178.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -75.94 -13.19 60.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.252 0.549 . . . . 0.0 110.393 -178.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -74.8 -12.42 60.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.39 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.458 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 19.3 mm-40 -87.55 -9.65 53.82 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.353 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.519 HD13 HD13 ' A' ' 2' ' ' ILE . 85.5 mt -77.07 143.75 39.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.188 0.518 . . . . 0.0 111.79 -173.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.642 ' HB2' ' HB2' ' A' ' 40' ' ' ARG . 45.9 mt-10 -91.47 109.02 20.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.252 175.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.8 mm -89.95 127.91 42.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.08 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.13 147.51 50.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.281 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.06 149.15 21.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.084 177.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.3 mm -87.41 127.02 41.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.107 0.479 . . . . 0.0 110.452 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.08 -172.6 2.53 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.003 -177.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.67 15.68 25.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.295 0.569 . . . . 0.0 109.937 177.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -96.79 -158.31 0.65 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.409 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 27' ' ' GLY . . . -95.7 -157.83 32.13 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.174 176.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 75.02 -48.59 0.64 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.596 0.758 . . . . 0.0 111.546 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.71 54.87 0.58 Allowed Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 174.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.433 ' O ' ' HA2' ' A' ' 24' ' ' GLY . . . 97.48 -167.53 23.52 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 -168.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -139.2 133.53 31.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.619 0.71 . . . . 0.0 109.574 174.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.2 p80 40.77 94.13 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.597 1.186 . . . . 0.0 113.429 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.73 HG22 ' H ' ' A' ' 32' ' ' LYS . 13.5 p -140.11 152.73 22.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.003 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -120.11 13.16 12.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.921 0.391 . . . . 0.0 111.33 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.73 ' H ' HG22 ' A' ' 30' ' ' VAL . 22.2 mttp -102.86 85.18 2.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.627 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 t -152.25 102.54 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.052 0.929 . . . . 0.0 111.347 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 p -115.27 -67.63 0.98 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.454 176.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.695 ' HB2' HE22 ' A' ' 80' ' ' GLN . 4.2 p -138.56 84.59 2.03 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.293 174.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 75' ' ' GLN . . . -118.45 130.36 55.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.428 -173.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.478 HD13 ' HG3' ' A' ' 80' ' ' GLN . 25.7 mm -100.61 120.45 50.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.656 176.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -118.15 107.44 13.97 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.458 174.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.545 HD23 ' HB ' ' A' ' 72' ' ' ILE . 2.7 pt? -112.09 149.44 32.11 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.469 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.642 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 79.0 mtp180 -108.14 114.82 29.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.615 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -115.32 101.57 9.06 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 173.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.456 ' HB3' HG23 ' A' ' 69' ' ' VAL . 7.7 p-10 -110.33 140.87 44.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.791 0.805 . . . . 0.0 111.954 -173.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.783 HG13 HD13 ' A' ' 48' ' ' LEU . 2.5 mp -73.68 -40.62 54.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.166 178.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -44.27 -48.22 9.46 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.954 -175.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.43 -20.27 28.42 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -176.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 p -94.94 178.81 5.44 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 121.149 0.5 . . . . 0.0 111.063 -174.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.05 60.2 0.56 Allowed Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.675 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.783 HD13 HG13 ' A' ' 43' ' ' ILE . 92.5 mt -76.25 147.39 79.5 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-O 120.545 0.212 . . . . 0.0 110.516 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -56.43 131.49 46.07 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.888 2.392 . . . . 0.0 111.564 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.543 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 44.0 tt0 -63.38 -30.97 72.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.413 -173.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -57.68 -40.21 78.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.624 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.437 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 5.4 m-85 -81.0 -38.25 27.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.157 0.503 . . . . 0.0 110.001 176.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.543 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 87.7 tttt -54.97 -48.29 73.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.556 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.423 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 16.0 mm-40 -61.87 -42.7 99.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.366 -178.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -59.67 -43.0 94.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.989 177.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.483 ' HA ' HD22 ' A' ' 98' ' ' LEU . 83.4 mt -63.23 -39.38 94.45 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.044 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.0 mt -78.27 -14.93 59.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.609 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.8 m -92.42 -49.26 6.23 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.529 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.433 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . . . -97.5 96.4 8.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.953 0.406 . . . . 0.0 111.723 -175.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.4 t -77.89 79.31 4.37 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 173.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.477 ' O ' ' HB2' ' A' ' 62' ' ' HIS . 2.8 t60 -64.14 -43.83 94.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.874 -176.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.477 ' HB2' ' O ' ' A' ' 61' ' ' HIS . 66.6 t60 173.56 -40.72 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.862 0.726 . . . . 0.0 110.391 174.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.413 HD11 HG13 ' A' ' 72' ' ' ILE . 82.8 mt -78.16 -13.89 59.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.746 -176.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.1 mm -84.25 125.23 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -86.69 -85.02 0.17 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.095 -178.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -161.07 -54.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.578 0.228 . . . . 0.0 111.027 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -61.75 -15.94 45.26 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.344 -174.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.59 39.83 2.31 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -173.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.456 HG23 ' HB3' ' A' ' 42' ' ' ASP . 7.1 p -128.87 143.38 41.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 43.3 mt -105.99 118.45 53.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.915 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.9 mp -106.12 117.73 52.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.121 0.486 . . . . 0.0 110.419 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.545 ' HB ' HD23 ' A' ' 39' ' ' LEU . 4.5 mp -114.39 125.26 71.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 37' ' ' ILE . 6.1 ptmm? -119.34 129.73 55.0 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -126.28 123.5 38.23 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.347 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.472 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 3.1 pt20 -157.2 102.22 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -144.63 -43.84 0.24 Allowed 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.423 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -128.34 173.17 10.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.359 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.839 ' HG2' ' H ' ' A' ' 79' ' ' SER . 16.9 ttp180 -90.93 -164.4 1.17 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.839 ' H ' ' HG2' ' A' ' 78' ' ' ARG . 23.8 m 68.44 82.33 0.17 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.434 0.635 . . . . 0.0 109.965 -176.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.695 HE22 ' HB2' ' A' ' 35' ' ' SER . 1.3 mp0 -59.4 -16.33 22.4 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.804 -172.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -56.79 -50.16 73.17 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 120.864 0.364 . . . . 0.0 110.719 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 79' ' ' SER . 4.0 pp -76.47 -34.47 58.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.332 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -57.44 -41.92 81.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.417 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -61.88 -52.45 64.05 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.3 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -60.7 -41.87 96.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.782 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.455 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -62.47 -38.98 91.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.031 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.85 99.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.975 0.417 . . . . 0.0 110.384 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.639 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 76.9 mt -64.09 -47.95 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.591 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.79 -39.25 77.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.455 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 6.2 mpt_? -59.69 -48.37 81.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.747 177.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.8 pp -69.55 -34.86 74.81 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.784 -176.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 88' ' ' ILE . 93.7 t -62.04 -44.48 99.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.935 178.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.84 96.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.59 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.94 -39.42 80.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.961 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 91' ' ' LEU . 83.5 mt -57.2 -41.18 77.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.688 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -67.54 -32.68 73.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.314 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.5 -34.19 73.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.841 0.353 . . . . 0.0 111.455 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.483 HD22 ' HA ' ' A' ' 56' ' ' LEU . 11.3 mp -89.49 -8.34 53.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.913 -176.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.9 p -102.0 -56.26 2.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.012 0.434 . . . . 0.0 110.625 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.56 170.67 9.75 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.501 176.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -51.02 116.96 2.24 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 123.079 0.237 . . . . 0.0 110.415 175.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.57 126.5 13.64 Favored 'General case' 0 C--O 1.233 0.219 0 O-C-N 123.951 0.782 . . . . 0.0 112.17 -171.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -91.14 155.34 18.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.633 -177.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.0 p -70.48 113.37 7.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.909 0.385 . . . . 0.0 111.49 -178.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.492 ' NE ' ' HA ' ' A' ' 105' ' ' ARG . 3.5 mmp_? -123.85 150.48 44.52 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -81.16 100.88 9.31 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.257 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -105.61 113.44 27.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.758 -175.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.0 m -87.01 109.2 19.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.287 173.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.757 ' HB2' ' HD3' ' A' ' 110' ' ' PRO . 95.8 mtt180 -96.59 -66.12 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -173.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.757 ' HD3' ' HB2' ' A' ' 109' ' ' ARG . 92.5 Cg_endo -89.56 140.14 3.58 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.215 1.944 . . . . 0.0 114.685 -165.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 111' ' ' THR . 7.6 t -175.11 97.6 0.08 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.461 171.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -138.8 135.81 35.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.318 -176.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -142.4 -84.49 0.17 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.44 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.2 m -68.63 132.93 47.72 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.949 0.404 . . . . 0.0 111.336 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -120.35 136.32 54.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.625 -176.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -164.02 94.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.031 0.444 . . . . 0.0 110.595 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -147.94 100.71 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.124 176.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 118' ' ' ARG . 44.5 mtp85 -88.42 157.71 18.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.502 178.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -127.66 122.25 32.53 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.1 p -144.63 96.89 2.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.115 0.483 . . . . 0.0 111.475 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.8 p -163.34 114.17 1.4 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 177.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -152.14 139.01 18.96 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.299 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.69 142.66 24.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.524 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -147.36 151.92 37.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.642 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -164.8 144.58 7.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.154 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.8 m -129.58 124.56 34.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.733 0.301 . . . . 0.0 110.808 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.5 m -152.61 97.12 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.14 114.13 2.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.139 0.495 . . . . 0.0 111.622 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -153.2 136.11 15.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.796 176.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -154.33 155.08 34.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.664 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.7 pp -158.99 165.67 33.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.71 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -171.8 144.86 1.84 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.767 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.38 127.7 1.69 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.068 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -149.14 133.86 17.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.712 0.256 . . . . 0.0 110.639 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 6.6 p -153.0 123.85 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.984 0.421 . . . . 0.0 110.773 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -132.35 178.2 7.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.021 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -146.62 150.01 38.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.051 -178.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.67 -171.44 0.32 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.966 2.444 . . . . 0.0 111.867 175.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 40.6 tp -141.09 118.58 11.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.892 0.377 . . . . 0.0 111.343 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -88.98 121.38 31.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.723 175.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.8 mt -128.61 164.92 21.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.855 0.359 . . . . 0.0 111.19 -176.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.84 168.38 13.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.677 174.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -160.57 117.56 2.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.139 0.495 . . . . 0.0 110.448 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -74.54 144.24 44.14 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.987 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -123.59 109.73 14.14 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 175.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -106.19 129.36 54.26 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.781 -175.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -71.36 -20.74 62.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.565 -174.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 . . . . . 0 C--O 1.245 0.817 0 CA-C-O 118.944 -0.551 . . . . 0.0 109.968 177.915 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.536 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 3.7 mp -92.84 97.07 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.42 102.67 14.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.138 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.556 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 18.4 mm -84.17 154.6 3.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 176.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -72.27 168.09 19.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.11 0.481 . . . . 0.0 111.146 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.442 ' HG2' HG21 ' A' ' 7' ' ' THR . 40.4 ttm180 69.7 -76.17 0.06 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.679 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.442 HG21 ' HG2' ' A' ' 6' ' ' ARG . 11.1 t -161.57 20.02 0.11 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -170.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.556 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 22.3 t -120.3 145.76 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 121.833 -0.542 . . . . 0.0 110.514 -177.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.497 ' HG ' ' C ' ' A' ' 8' ' ' VAL . 13.9 m -154.54 151.73 29.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 173.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 mp -126.07 139.34 51.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 146.53 53.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.191 0.52 . . . . 0.0 111.429 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.53 -43.02 99.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.922 -171.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -87.38 10.33 17.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.874 0.368 . . . . 0.0 111.572 -173.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -89.61 -0.45 57.53 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 120.778 0.323 . . . . 0.0 111.215 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.9 mt -80.78 145.72 31.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -93.4 114.27 26.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.187 174.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -109.86 114.85 48.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.115 -176.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.89 149.74 31.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.059 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.2 150.55 20.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.158 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.8 mt -104.31 129.6 56.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.768 0.318 . . . . 0.0 110.351 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -74.03 -65.32 0.85 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.4 -177.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.35 172.81 7.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.715 -176.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.634 ' NE2' ' HA ' ' A' ' 30' ' ' VAL . 11.3 mt-30 -86.1 120.69 27.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.468 -178.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.41 51.73 4.6 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.593 176.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -163.42 104.82 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.683 0.393 . . . . 0.0 110.167 -178.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.2 99.81 2.46 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.97 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 163.38 -42.74 0.33 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.766 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -82.47 177.31 8.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -56.16 126.93 28.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.948 0.404 . . . . 0.0 111.007 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.634 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 21.5 t -107.61 135.7 45.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 -176.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.73 148.97 27.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.675 175.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -93.84 80.32 4.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.326 0.584 . . . . 0.0 110.513 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.8 m -155.98 129.4 8.27 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.298 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.9 m -78.24 83.45 4.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.234 0.54 . . . . 0.0 110.666 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.641 ' HA ' HE21 ' A' ' 80' ' ' GLN . 12.0 p -104.55 9.81 35.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.943 175.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.36 133.05 54.67 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.548 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.482 HD12 ' HB3' ' A' ' 80' ' ' GLN . 46.9 mm -100.33 129.54 50.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.398 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -118.87 112.39 19.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.005 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.445 HD22 ' HB2' ' A' ' 87' ' ' ALA . 2.1 pt? -125.63 149.91 48.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.943 0.401 . . . . 0.0 110.679 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -127.12 140.27 52.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.027 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -134.68 112.75 11.04 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.5 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.475 ' HB3' HG22 ' A' ' 69' ' ' VAL . 5.9 p-10 -112.02 162.07 15.78 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.967 0.413 . . . . 0.0 110.76 -178.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 68' ' ' GLY . 35.1 mt -56.22 -44.47 79.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.508 -179.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -68.34 -13.25 62.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.835 -173.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.74 -5.39 55.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.954 0.407 . . . . 0.0 111.4 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -155.67 -163.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.276 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.52 61.17 0.56 Allowed Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 86.0 mt -66.59 143.91 98.38 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.598 0.237 . . . . 0.0 110.941 -176.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 24.9 Cg_exo -62.96 143.35 90.97 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.484 2.123 . . . . 0.0 111.561 177.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.431 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 13.8 pt-20 -59.66 -29.25 67.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.363 -176.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.473 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 89.5 m-85 -62.32 -34.22 76.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.79 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.56 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 25.8 m-85 -81.57 -42.79 19.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.708 176.438 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 12.1 tmtt? -56.83 -43.56 81.19 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.716 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -63.95 -45.89 87.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.714 0.292 . . . . 0.0 111.264 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.505 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 72.7 mtt180 -66.54 -24.71 66.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.672 -177.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 52' ' ' TYR . 95.5 mt -61.01 -31.52 71.13 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.021 0.439 . . . . 0.0 111.059 177.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -91.35 -22.3 20.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.375 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.505 ' OG1' ' HA ' ' A' ' 55' ' ' ARG . 34.7 p -86.78 -39.3 16.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.74 0.305 . . . . 0.0 111.441 -177.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.52 ' HB1' ' HG ' ' A' ' 98' ' ' LEU . . . -95.9 87.65 4.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.984 0.421 . . . . 0.0 110.933 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 m -60.73 130.96 49.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.507 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.7 158.71 43.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.419 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -69.22 0.44 4.85 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.811 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.463 HD12 HG21 ' A' ' 94' ' ' VAL . 93.2 mt -104.75 -8.3 18.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.061 0.458 . . . . 0.0 110.846 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.3 mm -89.59 134.69 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.346 -178.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.408 ' OG ' HD12 ' A' ' 71' ' ' ILE . 28.0 m -90.8 -63.76 1.22 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.65 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -158.77 -75.72 0.08 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -177.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -99.47 60.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.304 0.573 . . . . 0.0 111.708 -169.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.432 ' O ' HG13 ' A' ' 43' ' ' ILE . . . 72.41 38.59 58.1 Favored Glycine 0 C--N 1.322 -0.202 0 CA-C-N 115.393 -0.821 . . . . 0.0 113.667 171.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.475 HG22 ' HB3' ' A' ' 42' ' ' ASP . 9.0 p -120.96 142.29 37.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 173.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.408 ' N ' HD11 ' A' ' 70' ' ' ILE . 4.5 mp -112.41 117.4 55.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.979 -178.318 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.408 HD12 ' OG ' ' A' ' 65' ' ' SER . 1.8 mp -107.91 121.21 60.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.856 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.1 mp -115.36 131.81 66.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -119.58 131.46 55.52 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 171.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.706 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . . . -115.7 133.01 56.46 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.37 -176.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -153.57 104.12 2.7 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.659 0.742 . . . . 0.0 109.588 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.51 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 40.1 tt0 -112.11 -79.18 0.58 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.846 178.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.51 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 68.0 m-85 -120.23 -84.86 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.422 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.594 ' HA ' ' HB2' ' A' ' 35' ' ' SER . 39.7 ttm-85 -154.49 4.81 0.25 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.696 -176.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 m -98.23 97.23 8.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.856 0.36 . . . . 0.0 110.783 -176.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.641 HE21 ' HA ' ' A' ' 35' ' ' SER . 26.0 mp0 -56.31 -41.93 76.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.772 -175.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.45 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 44.2 tt0 -59.03 -55.26 37.47 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -175.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 pp -72.05 -31.02 65.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.769 0.318 . . . . 0.0 110.279 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.64 -41.03 98.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.929 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -60.04 -54.51 45.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.464 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 81' ' ' GLU . 16.9 mm-40 -57.69 -38.77 75.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.408 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.51 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -65.37 -39.37 92.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.889 177.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.706 ' HB1' ' HB2' ' A' ' 74' ' ' ALA . . . -62.7 -37.21 85.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.97 0.414 . . . . 0.0 110.376 177.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.661 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 74.7 mt -64.47 -48.61 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.181 175.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.33 -34.8 74.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 177.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.51 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 7.6 mpt_? -58.32 -50.93 71.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.319 176.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 4.0 pp -68.05 -34.13 75.88 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.463 -176.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 88' ' ' ILE . 85.2 t -60.15 -44.38 95.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.697 175.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.509 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -63.95 -39.66 94.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.643 178.001 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.463 HG21 HD12 ' A' ' 63' ' ' LEU . 71.2 t -60.66 -41.82 89.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.502 177.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 91' ' ' LEU . 91.4 mt -55.42 -41.65 63.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.716 176.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -71.15 -28.62 64.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.18 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.67 ' HB3' HH11 ' A' ' 105' ' ' ARG . 87.3 mt-10 -70.24 -37.79 75.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.989 0.423 . . . . 0.0 110.573 177.607 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.52 ' HG ' ' HB1' ' A' ' 59' ' ' ALA . 11.1 mp -80.01 -38.43 32.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.245 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -89.83 18.57 5.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.465 0.65 . . . . 0.0 110.679 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.69 167.1 13.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.579 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 102' ' ' GLN . 34.9 tt0 -95.33 161.4 14.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.316 -0.856 . . . . 0.0 108.848 178.023 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.458 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 15.9 mm100 69.17 -163.82 0.18 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -174.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -78.57 -75.52 0.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.694 0.283 . . . . 0.0 110.671 -178.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.1 t 55.93 -169.85 0.08 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.321 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.965 ' HA ' ' HE ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER 46.57 43.37 12.33 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.72 0.808 . . . . 0.0 112.426 174.657 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -80.65 -12.87 59.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.281 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.77 94.65 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.943 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 t -115.01 125.18 53.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.816 -177.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -122.14 100.41 42.56 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.291 175.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.97 111.93 2.98 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.032 2.488 . . . . 0.0 112.878 -176.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 60.2 m -102.04 129.84 48.45 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 172.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.74 75.27 0.98 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -174.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -116.3 111.12 19.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.167 -175.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.6 m -108.21 130.16 55.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.48 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -151.22 100.4 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -178.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -136.5 117.46 14.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.443 -174.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -174.09 146.66 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 171.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -148.19 112.2 5.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.466 0.651 . . . . 0.0 111.045 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -139.12 10.85 2.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.127 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.8 m -86.0 41.58 0.93 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.089 -174.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.9 m -133.52 23.2 4.02 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -172.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 122' ' ' LYS . 0.3 OUTLIER -138.08 120.45 15.92 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.908 175.47 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -179.66 119.04 0.06 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.692 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? -146.91 103.53 3.63 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.78 -178.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.437 ' HD2' ' HA ' ' A' ' 125' ' ' LYS . 42.6 tptt -171.12 104.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.126 171.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 61.0 m -156.31 75.59 0.88 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.1 m -164.21 95.51 0.76 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.208 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 5.8 p -159.28 86.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.789 0.804 . . . . 0.0 111.513 177.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -159.91 114.12 2.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.782 173.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -171.66 89.12 0.11 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.325 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.3 tp -144.45 87.79 1.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.143 0.497 . . . . 0.0 111.29 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -162.41 98.41 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.572 171.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -158.53 124.07 1.34 Allowed Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -152.18 141.77 21.77 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 26.9 m -70.95 137.1 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.692 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.673 ' HD2' ' O ' ' A' ' 136' ' ' ARG . 1.5 ppt_? -154.69 133.0 11.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.612 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -171.95 117.6 0.42 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.988 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -85.94 149.75 9.62 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.625 2.217 . . . . 0.0 111.673 174.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.6 mp -121.1 105.27 10.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.09 0.471 . . . . 0.0 110.897 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -97.99 7.19 46.72 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.46 103.08 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.403 -176.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -167.17 111.42 0.72 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.502 175.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -118.83 100.19 7.24 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.629 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -72.93 83.27 1.22 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.309 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -132.69 77.69 1.76 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.916 -175.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -138.5 91.39 2.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.592 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -104.51 144.38 31.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.009 0.433 . . . . 0.0 111.665 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.663 171.718 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.5 ttp . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 57.7 mt -81.85 119.96 32.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.271 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.42 122.66 32.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.873 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.67 ' HB ' HG11 ' A' ' 8' ' ' VAL . 24.2 mm -101.21 166.43 2.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.534 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 42.2 m -55.48 148.6 15.13 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.534 ' HB2' ' O ' ' A' ' 5' ' ' SER . 8.5 mpt_? 71.05 -164.49 0.14 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -167.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.422 ' H ' ' HB3' ' A' ' 6' ' ' ARG . 5.9 t -90.45 5.16 48.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.849 0.356 . . . . 0.0 111.714 -176.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.67 HG11 ' HB ' ' A' ' 4' ' ' ILE . 9.1 p -78.48 144.75 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.014 0.435 . . . . 0.0 110.719 -178.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -147.12 155.9 42.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.762 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.0 mt -125.69 135.39 64.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.162 -178.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.516 ' HB1' ' HG3' ' A' ' 14' ' ' GLU . . . -81.6 136.84 35.55 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.267 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -66.9 -20.04 65.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.084 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -71.75 -23.11 61.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.447 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.516 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 46.3 mt-10 -78.08 -16.14 58.28 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.032 -179.045 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -83.04 124.43 30.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.096 0.474 . . . . 0.0 111.031 -177.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -83.1 103.62 12.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.462 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 35.5 mm -98.16 130.42 46.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.198 -177.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.84 149.89 50.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 -178.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.27 129.71 44.55 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.544 HD13 ' HB2' ' A' ' 38' ' ' HIS . 36.9 mt -104.45 126.45 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -124.57 102.3 7.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.066 169.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.72 20.72 9.45 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 173.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.526 ' HB2' HG22 ' A' ' 20' ' ' ILE . 82.8 mm-40 -72.53 143.42 48.34 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.998 0.428 . . . . 0.0 111.289 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.441 ' HA2' ' CB ' ' A' ' 28' ' ' GLN . . . -118.61 61.91 0.45 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.997 -176.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.1 134.74 19.85 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.378 -0.231 . . . . 0.0 110.378 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.17 70.76 0.93 Allowed Glycine 0 C--N 1.331 0.298 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.73 72.86 0.91 Allowed Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -173.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.441 ' CB ' ' HA2' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -62.86 136.14 57.7 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -171.709 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.8 m80 59.73 -173.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.117 -1.401 . . . . 0.0 111.522 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.7 p -173.01 -33.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.308 0.575 . . . . 0.0 110.636 177.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -140.22 153.5 46.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.859 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -69.07 -21.34 64.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.177 0.513 . . . . 0.0 110.862 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.3 m -114.94 12.61 16.85 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.314 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.448 ' O ' ' HB3' ' A' ' 35' ' ' SER . 67.1 m 58.63 -150.28 0.44 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.96 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.448 ' HB3' ' O ' ' A' ' 34' ' ' SER . 34.9 t 76.91 84.35 0.08 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.75 0.786 . . . . 0.0 110.869 -178.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.49 159.68 44.05 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.113 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mm -99.15 127.01 52.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-O 121.071 0.462 . . . . 0.0 110.633 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.544 ' HB2' HD13 ' A' ' 20' ' ' ILE . 45.1 t-80 -103.62 125.57 50.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.073 177.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.665 HD23 ' HB ' ' A' ' 72' ' ' ILE . 2.5 pt? -132.5 144.77 50.67 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.485 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 39.2 ptt85 -138.7 154.61 48.59 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.963 178.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -152.56 118.49 5.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.725 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.98 81.43 8.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.729 0.775 . . . . 0.0 110.756 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.563 HG22 ' HB2' ' A' ' 48' ' ' LEU . 54.6 mt -56.01 -42.45 71.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.964 178.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.573 ' HB2' ' HA3' ' A' ' 68' ' ' GLY . 41.0 ttt85 -56.48 -24.85 48.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.26 178.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.0 -54.17 3.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.652 0.263 . . . . 0.0 111.345 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -143.19 149.46 38.03 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-O 120.681 0.277 . . . . 0.0 111.518 -175.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.39 -95.42 0.58 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.896 -0.668 . . . . 0.0 114.318 167.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.563 ' HB2' HG22 ' A' ' 43' ' ' ILE . 95.4 mt -75.89 155.39 84.86 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -171.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.518 ' HD3' HG22 ' A' ' 8' ' ' VAL . 31.3 Cg_exo -60.76 153.18 64.36 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.97 2.447 . . . . 0.0 111.718 176.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.534 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 43.9 mt-10 -68.84 -18.81 64.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.88 -174.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.417 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 44.6 m-85 -57.97 -53.47 57.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.791 0.329 . . . . 0.0 110.281 173.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.528 ' HH ' HG21 ' A' ' 99' ' ' THR . 54.5 m-85 -65.11 -45.02 86.86 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.492 175.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.534 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 39.6 ttmt -51.06 -52.3 44.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.967 -176.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -61.7 -41.78 98.06 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -176.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 22.7 mmt180 -67.76 -32.23 72.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.713 0.292 . . . . 0.0 111.199 -178.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.475 HD22 ' HG ' ' A' ' 98' ' ' LEU . 66.0 mt -66.08 -34.46 78.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.96 -44.21 15.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.6 p -66.92 -37.52 84.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.377 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.39 83.41 2.82 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 174.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.7 m -69.59 92.12 0.63 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.634 0.73 . . . . 0.0 110.305 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.423 ' C ' ' H ' ' A' ' 63' ' ' LEU . 1.9 t60 -85.12 15.31 4.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.616 -175.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.0 t60 71.9 -33.99 0.29 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.968 0.907 . . . . 0.0 111.65 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.423 ' H ' ' C ' ' A' ' 61' ' ' HIS . 92.7 mt -63.37 -25.4 68.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.275 0.559 . . . . 0.0 110.376 174.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.0 mm -75.09 124.71 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 169.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.442 ' HB2' HG11 ' A' ' 69' ' ' VAL . 16.1 m -74.79 -64.21 1.09 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -168.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -149.25 -81.64 0.12 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.88 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -105.39 61.73 0.68 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.553 0.692 . . . . 0.0 110.878 -172.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.573 ' HA3' ' HB2' ' A' ' 44' ' ' ARG . . . 75.37 31.53 56.82 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.241 -0.891 . . . . 0.0 113.481 174.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.442 HG11 ' HB2' ' A' ' 65' ' ' SER . 12.0 p -125.59 144.07 36.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.485 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 33.3 pt -109.54 129.69 63.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.905 0.383 . . . . 0.0 111.135 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mp -122.98 117.04 50.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.665 ' HB ' HD23 ' A' ' 39' ' ' LEU . 4.7 mp -114.45 147.86 17.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.134 -177.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -119.14 151.6 38.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.85 0.357 . . . . 0.0 110.164 173.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.23 137.2 12.52 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.933 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 75' ' ' GLN . 1.3 pt20 -166.84 104.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.608 178.015 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -109.61 -29.35 8.41 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.144 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -155.34 -173.57 4.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -69.77 -28.73 66.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.624 0.25 . . . . 0.0 110.385 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.4 m -59.64 109.5 0.93 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.772 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.514 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 23.8 mp0 -61.41 -41.56 97.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.396 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -54.6 -50.71 67.39 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.488 -176.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.624 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -68.68 -33.24 73.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.68 -178.22 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.84 -35.01 74.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.757 0.313 . . . . 0.0 110.466 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 33.6 mtp-105 -68.28 -48.01 66.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.245 175.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.624 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -64.46 -34.21 77.67 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.644 -177.416 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.424 ' O ' ' HD2' ' A' ' 90' ' ' ARG . . . -67.79 -40.22 83.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.518 177.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.411 ' HB2' ' CD2' ' A' ' 39' ' ' LEU . . . -61.43 -42.94 99.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 177.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.693 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.2 mt -61.38 -49.56 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.742 176.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.4 -35.56 79.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.197 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.487 ' O ' HG23 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -63.32 -40.14 96.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.638 178.04 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.693 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.5 pp -72.81 -34.13 66.66 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.155 -179.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 95.4 t -62.63 -37.25 78.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.113 0.483 . . . . 0.0 109.808 174.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -61.79 -41.19 97.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.037 176.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.544 ' HA ' ' OE1' ' A' ' 97' ' ' GLU . 44.0 t -64.38 -45.31 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.497 177.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 86.9 mt -55.06 -44.96 76.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.273 0.559 . . . . 0.0 110.375 175.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -62.01 -30.29 70.85 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.495 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.544 ' OE1' ' HA ' ' A' ' 94' ' ' VAL . 53.4 mt-10 -66.56 -44.06 83.33 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.878 0.371 . . . . 0.0 111.164 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.475 ' HG ' HD22 ' A' ' 56' ' ' LEU . 4.4 mm? -67.77 -34.15 76.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.888 -174.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.528 HG21 ' HH ' ' A' ' 52' ' ' TYR . 4.0 p -84.05 -11.16 57.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.761 0.315 . . . . 0.0 111.54 178.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.27 119.66 21.94 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 175.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -71.06 -44.94 64.73 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.804 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -121.97 111.05 16.58 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.151 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.741 ' HG3' ' H ' ' A' ' 104' ' ' SER . 16.6 pttm -131.28 -77.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -175.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.741 ' H ' ' HG3' ' A' ' 103' ' ' LYS . 34.6 t 66.24 178.25 0.21 Allowed 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -173.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.565 ' HG2' ' N ' ' A' ' 106' ' ' ARG . 37.7 ttm180 70.06 167.18 0.29 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.44 0.296 . . . . 0.0 110.904 178.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.565 ' N ' ' HG2' ' A' ' 105' ' ' ARG . 36.2 ttt-85 66.19 43.39 2.84 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.464 0.649 . . . . 0.0 110.607 171.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -121.53 22.39 10.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.588 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.7 t -137.49 124.29 21.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.313 0.577 . . . . 0.0 111.915 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -147.0 112.21 4.14 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.281 174.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.6 147.22 90.07 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.1 m -133.61 120.54 20.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.94 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.476 ' HD2' ' N ' ' A' ' 112' ' ' ARG . 4.0 mpt_? -96.1 127.39 42.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.039 0.447 . . . . 0.0 111.554 -173.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -100.87 75.35 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.876 176.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.2 m -103.36 129.47 50.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.104 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -110.55 157.54 19.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.874 0.369 . . . . 0.0 111.607 -173.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -125.05 -57.01 1.53 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.211 171.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 51.33 69.47 0.65 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.839 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 118' ' ' ARG . 35.7 ttt180 -138.24 132.43 31.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.224 -175.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.8 pp -155.1 154.26 32.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.634 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.3 t -176.98 97.72 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.3 m -122.78 100.76 7.07 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -176.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.481 ' O ' ' HG3' ' A' ' 122' ' ' LYS . 23.1 pttm -160.88 113.77 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.843 169.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -153.8 93.18 1.63 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -156.36 72.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.46 0.648 . . . . 0.0 109.851 171.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -142.04 111.67 6.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.259 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.4 p -116.12 104.46 11.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.084 0.468 . . . . 0.0 111.737 -175.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 32.5 t -120.68 128.1 52.66 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 5.9 m -133.98 114.37 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -172.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -163.19 82.49 0.48 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.069 172.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -89.06 101.04 13.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.442 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.0 tt -156.16 126.88 6.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.148 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -150.79 173.95 13.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.921 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 159.76 100.85 0.17 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.263 -0.97 . . . . 0.0 113.02 178.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -163.05 154.51 17.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.78 0.324 . . . . 0.0 110.372 176.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 11.5 p -143.35 143.5 24.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -119.97 171.29 8.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.996 0.427 . . . . 0.0 111.471 -177.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -117.27 137.68 24.23 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.493 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.29 148.04 48.57 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.59 2.193 . . . . 0.0 111.864 175.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 8.8 tt -91.6 133.19 35.77 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -178.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -114.34 146.04 41.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.555 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.2 pp -160.76 150.53 17.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.55 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -136.22 104.74 5.75 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 171.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -117.16 98.37 6.41 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.118 0.485 . . . . 0.0 110.293 -175.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -106.87 157.62 17.62 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.449 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -144.82 135.38 24.47 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -142.54 116.67 9.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.988 0.423 . . . . 0.0 111.734 -169.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -135.74 163.8 29.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 172.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.013 -178.014 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.521 ' HE2' ' HB3' ' A' ' 9' ' ' SER . 19.3 ptm . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.477 HG12 HD12 ' A' ' 15' ' ' LEU . 3.3 mp -89.51 124.23 42.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.63 127.43 47.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.043 -178.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.768 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 27.0 mm -109.3 165.5 5.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.422 ' N ' HG22 ' A' ' 4' ' ' ILE . 9.9 p -64.57 170.6 3.88 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 120.785 0.326 . . . . 0.0 111.592 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 69.89 -78.87 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.946 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -173.16 21.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.055 0.455 . . . . 0.0 110.728 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.768 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 25.2 t -91.34 144.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -176.29 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.521 ' HB3' ' HE2' ' A' ' 1' ' ' MET . 7.8 m -142.91 150.87 40.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.766 0.317 . . . . 0.0 110.609 177.141 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.462 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 66.9 mt -127.38 143.98 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.757 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.523 ' HB2' ' HG2' ' A' ' 14' ' ' GLU . . . -66.08 138.68 57.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.149 0.499 . . . . 0.0 111.092 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -65.01 -27.49 68.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.363 -177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -81.44 -3.71 53.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.786 -176.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.523 ' HG2' ' HB2' ' A' ' 11' ' ' ALA . 52.9 mm-40 -84.06 -48.74 9.58 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -177.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.477 HD12 HG12 ' A' ' 2' ' ' ILE . 66.0 mt -77.02 145.96 37.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -175.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 44.0 mt-10 -79.66 97.21 6.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.961 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.4 mm -88.73 112.2 23.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.96 151.33 48.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.921 0.391 . . . . 0.0 111.214 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.21 150.66 27.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.044 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.595 HG12 ' HB2' ' A' ' 38' ' ' HIS . 26.2 mt -85.99 94.88 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.29 0.567 . . . . 0.0 112.33 -175.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -95.01 90.72 6.05 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 166.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.497 ' HB3' ' HB2' ' A' ' 31' ' ' ASN . . . -86.68 21.2 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.431 -169.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 73.33 149.43 0.1 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.424 0.631 . . . . 0.0 111.087 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -168.52 139.18 5.52 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.22 173.26 6.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.621 0.248 . . . . 0.0 110.885 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.54 76.1 1.74 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.8 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.409 ' O ' ' HG2' ' A' ' 28' ' ' GLN . . . 132.36 91.06 0.49 Allowed Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -178.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.429 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 19.3 pt20 53.21 -165.32 0.08 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.23 1.012 . . . . 0.0 111.662 -177.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 32.0 m170 69.6 6.57 5.78 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 122.849 0.46 . . . . 0.0 111.042 -172.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.7 t -72.56 135.99 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.497 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 40.8 m-80 -95.99 -49.23 5.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.815 -171.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.598 ' HG2' ' H ' ' A' ' 33' ' ' THR . 37.5 tttp -157.79 -177.04 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.839 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.598 ' H ' ' HG2' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -84.65 8.34 17.22 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -175.222 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.553 ' HA ' ' O ' ' A' ' 20' ' ' ILE . 24.6 m 70.72 -12.8 0.52 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.466 0.707 . . . . 0.0 112.827 178.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.422 ' HB3' ' HA ' ' A' ' 78' ' ' ARG . 69.8 m -84.15 67.06 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.349 0.595 . . . . 0.0 110.856 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.418 ' HB3' HD11 ' A' ' 20' ' ' ILE . . . -146.94 158.15 43.84 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.381 177.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.51 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 32.5 mm -101.66 128.92 53.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.253 0.549 . . . . 0.0 111.94 -174.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.595 ' HB2' HG12 ' A' ' 20' ' ' ILE . 46.9 t-80 -122.71 111.7 17.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.648 175.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.466 ' HA ' ' O ' ' A' ' 16' ' ' GLU . 2.7 pt? -124.86 149.91 47.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.042 0.448 . . . . 0.0 110.372 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -103.04 146.0 29.03 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.109 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.428 ' HB3' ' CG1' ' A' ' 70' ' ' ILE . 73.4 t80 -145.81 103.81 3.8 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 172.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -111.91 161.03 16.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.047 0.451 . . . . 0.0 111.345 -175.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.597 HG23 HD21 ' A' ' 57' ' ' LEU . 3.6 mp -76.11 -42.61 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.099 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.7 ttt85 -59.67 -25.33 64.65 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.347 -171.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.17 -28.83 68.25 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.7 0.286 . . . . 0.0 110.956 175.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.0 t 65.6 -174.24 0.18 Allowed 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 123.662 0.785 . . . . 0.0 111.078 178.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.1 -43.94 1.47 Allowed Glycine 0 C--N 1.314 -0.656 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.232 -176.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.52 147.91 82.46 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.568 -0.316 . . . . 0.0 110.38 176.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.49 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 19.6 Cg_endo -62.32 159.16 36.7 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.677 2.252 . . . . 0.0 111.55 175.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.523 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 3.6 mp0 -50.78 -46.31 59.47 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.302 0.376 . . . . 0.0 110.132 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -50.32 -42.0 52.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.391 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -82.83 -49.86 9.25 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.49 ' HG2' ' O ' ' A' ' 49' ' ' PRO . 55.2 pttt -70.69 -32.45 69.69 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -172.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -64.1 -35.27 80.22 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.59 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.475 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 8.8 mmt180 -62.58 -25.05 67.88 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 176.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.473 HD13 HG13 ' A' ' 43' ' ' ILE . 81.7 mt -71.02 -28.8 64.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.821 0.343 . . . . 0.0 111.124 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.597 HD21 HG23 ' A' ' 43' ' ' ILE . 3.4 mm? -90.3 -37.59 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.837 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.475 ' OG1' ' HA ' ' A' ' 55' ' ' ARG . 7.4 p -73.93 -45.61 49.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.685 -177.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.11 79.8 7.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.154 0.502 . . . . 0.0 110.457 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.7 m -68.96 89.37 0.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.733 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.51 165.3 22.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.168 176.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -73.53 -23.53 60.02 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 173.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.01 -23.46 67.46 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.742 174.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.484 HD13 HG22 ' A' ' 70' ' ' ILE . 24.2 mm -70.59 124.27 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 169.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.495 ' HB2' HD12 ' A' ' 71' ' ' ILE . 12.0 m -106.19 -77.54 0.59 Allowed 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -163.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -76.53 -71.08 0.41 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.016 0.436 . . . . 0.0 110.569 -172.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -143.84 -68.67 0.33 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.462 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -121.56 36.61 3.2 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.399 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 p -145.16 144.26 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.484 HG22 HD13 ' A' ' 64' ' ' ILE . 43.5 pt -100.51 133.97 41.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.063 0.459 . . . . 0.0 109.884 174.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.495 HD12 ' HB2' ' A' ' 65' ' ' SER . 1.7 mp -105.94 111.97 37.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 174.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.461 ' HB ' ' CD2' ' A' ' 39' ' ' LEU . 49.9 mm -98.87 116.4 41.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.541 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -101.68 102.95 13.71 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.685 0.755 . . . . 0.0 110.39 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.51 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -98.37 124.47 43.05 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.394 -175.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -153.34 102.11 2.58 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.121 -176.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -104.21 -67.27 0.91 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.737 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -178.46 85.14 0.02 OUTLIER 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.718 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.422 ' HA ' ' HB3' ' A' ' 35' ' ' SER . 62.5 ttt180 62.9 176.09 0.15 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.966 176.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.2 m 69.67 111.13 0.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.541 0.686 . . . . 0.0 111.673 175.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -66.17 -26.82 67.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.043 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -58.87 -56.38 22.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.797 0.332 . . . . 0.0 111.856 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 pp -76.07 -36.04 59.16 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.258 0.551 . . . . 0.0 110.6 -174.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.469 ' HB3' HG12 ' A' ' 37' ' ' ILE . 33.1 m-20 -64.9 -34.47 78.47 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.286 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -66.91 -44.17 81.43 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.315 175.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.34 -41.42 97.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.61 -44.39 97.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.273 176.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.413 ' HB2' ' HB1' ' A' ' 74' ' ' ALA . . . -58.24 -49.11 78.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.862 177.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.515 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 85.4 mt -59.65 -52.37 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.886 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.83 -38.72 79.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.689 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.463 ' O ' HG22 ' A' ' 94' ' ' VAL . 26.3 mmm180 -73.16 -35.95 66.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.758 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 2.6 pp -73.95 -36.05 64.59 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.365 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.527 HG13 ' HE2' ' A' ' 96' ' ' LYS . 58.7 t -68.72 -32.2 53.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 176.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.5 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . . . -58.65 -41.3 85.73 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.759 175.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 90' ' ' ARG . 16.8 t -58.51 -40.21 77.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.11 0.481 . . . . 0.0 110.41 176.156 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.522 HD12 ' HA ' ' A' ' 92' ' ' VAL . 65.5 mt -58.86 -36.18 59.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.62 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.527 ' HE2' HG13 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -71.62 -36.71 70.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.936 176.597 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.919 ' HA ' ' HB2' ' A' ' 102' ' ' GLN . 41.8 mt-10 -63.39 -35.15 79.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.798 0.333 . . . . 0.0 111.685 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.462 ' O ' ' HD2' ' A' ' 55' ' ' ARG . 10.9 mp -79.41 -37.31 37.49 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -176.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.7 p -94.96 -33.69 12.66 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -175.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -99.62 168.2 10.09 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -79.31 54.16 1.64 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.33 0.586 . . . . 0.0 110.226 -178.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.919 ' HB2' ' HA ' ' A' ' 97' ' ' GLU . 84.0 mm-40 -97.82 102.06 13.72 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.623 0.725 . . . . 0.0 110.552 -178.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -91.75 128.01 37.42 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.266 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.2 m -66.61 142.13 57.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.602 0.239 . . . . 0.0 110.64 -178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.49 ' HD3' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -151.71 165.92 32.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.99 -176.289 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? 69.45 -83.64 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 O-C-N 124.092 0.87 . . . . 0.0 110.752 174.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 62.88 154.94 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.712 0.768 . . . . 0.0 113.007 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.9 m -148.53 135.51 20.05 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.415 ' O ' ' HG3' ' A' ' 109' ' ' ARG . 11.8 ptm180 -151.73 103.12 2.87 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 121.215 0.531 . . . . 0.0 112.255 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -96.64 94.13 0.08 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 123.699 2.933 . . . . 0.0 111.759 171.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.3 m -93.96 82.18 4.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.955 0.407 . . . . 0.0 110.812 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -143.88 139.46 29.24 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.054 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -171.86 -175.84 1.6 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.666 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.8 t 69.52 89.49 0.1 Allowed 'General case' 0 CA--C 1.533 0.298 0 O-C-N 123.857 0.723 . . . . 0.0 112.808 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -145.24 102.98 3.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 172.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -177.01 141.35 0.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.225 -174.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -133.08 84.4 2.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.149 0.499 . . . . 0.0 110.172 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.0 ttm105 -96.49 127.88 42.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.732 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.6 pp -96.42 165.47 12.17 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.783 0.325 . . . . 0.0 111.018 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.4 m -126.38 103.65 7.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.409 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.0 p -83.3 164.68 19.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.73 178.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -109.8 104.54 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.515 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -112.49 34.48 4.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.262 0.553 . . . . 0.0 110.293 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -135.05 118.49 16.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.442 -0.799 . . . . 0.0 108.868 -178.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -118.26 104.33 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.421 -174.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.8 t -105.76 148.21 27.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.8 m -151.22 119.3 6.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.224 0.535 . . . . 0.0 111.554 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 13.4 p -130.19 142.02 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -81.33 134.81 35.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.49 0.662 . . . . 0.0 111.746 -174.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -141.59 96.98 3.07 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.003 175.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.74 -66.65 0.09 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.62 -174.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -94.69 142.03 27.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.84 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 154.32 33.35 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.543 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.415 ' O ' ' HD2' ' A' ' 136' ' ' ARG . 4.4 mppt? -114.07 35.78 3.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.028 0.442 . . . . 0.0 110.684 177.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 3.2 p -87.91 104.01 14.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.518 0.675 . . . . 0.0 110.217 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' A' ' 134' ' ' LYS . 6.2 mpt_? -94.34 104.04 16.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.515 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -155.0 77.83 4.95 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-O 120.997 0.427 . . . . 0.0 110.368 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -85.82 129.59 3.53 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.353 2.702 . . . . 0.0 111.405 176.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . 0.551 HD21 ' HB2' ' A' ' 141' ' ' LEU . 0.9 OUTLIER -77.86 90.23 4.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.325 0.584 . . . . 0.0 109.747 -179.456 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -77.91 76.83 4.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.888 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.551 ' HB2' HD21 ' A' ' 139' ' ' LEU . 4.9 tt -83.79 97.15 9.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.537 -170.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 141' ' ' LEU . 24.9 tt0 176.39 144.72 0.08 Allowed 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.961 0.788 . . . . 0.0 110.016 172.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -120.98 58.66 0.95 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.862 0.839 . . . . 0.0 109.27 173.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -82.78 83.54 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.225 -176.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -148.46 159.67 43.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.63 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -174.83 138.51 0.48 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -93.82 144.97 24.95 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -176.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 15.2 p80 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.614 -0.708 . . . . 0.0 109.679 178.413 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.613 ' HA ' ' HB2' ' A' ' 12' ' ' ASP . 26.6 ttt . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.564 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 43.6 mm -87.63 96.22 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.3 107.02 19.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.083 0.468 . . . . 0.0 110.334 179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 5' ' ' SER . 27.3 mm -92.98 164.87 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.431 ' N ' HG22 ' A' ' 4' ' ' ILE . 8.0 p -65.32 158.52 26.23 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 174.453 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.436 ' HG2' ' H ' ' A' ' 7' ' ' THR . 15.1 ttm180 67.91 -164.5 0.2 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -177.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.436 ' H ' ' HG2' ' A' ' 6' ' ' ARG . 12.4 t -83.81 26.94 0.67 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.265 0.555 . . . . 0.0 111.785 -174.492 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.7 t -105.59 124.63 60.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 O-C-N 121.997 -0.439 . . . . 0.0 111.109 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 m -141.67 155.04 45.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.185 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.564 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 58.3 mt -135.53 149.17 28.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.502 ' HB2' ' HG2' ' A' ' 14' ' ' GLU . . . -63.43 145.66 55.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 110.857 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.613 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 22.4 t70 -65.19 -45.64 83.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.86 -173.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -79.61 0.29 30.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.564 -173.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.502 ' HG2' ' HB2' ' A' ' 11' ' ' ALA . 27.5 mm-40 -81.0 -11.76 59.5 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -174.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.9 mt -74.52 157.68 35.08 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 176.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.732 ' HB2' ' HB3' ' A' ' 40' ' ' ARG . 38.9 mt-10 -87.92 97.49 10.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.7 mm -90.36 125.82 43.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.056 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.512 ' O ' ' HB3' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -128.42 148.67 50.72 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.054 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.51 136.32 32.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.242 177.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 55.5 mt -75.26 127.27 36.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.219 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 -62.84 137.88 58.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.898 176.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 73.27 113.55 0.06 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 124.147 0.904 . . . . 0.0 109.836 -172.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.553 ' HB2' ' O ' ' A' ' 31' ' ' ASN . 23.8 mp0 -65.68 108.33 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.373 -172.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.05 -71.66 2.35 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.283 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.92 154.57 40.54 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.26 -25.04 9.1 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.931 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.8 61.27 4.71 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.215 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.616 ' HG3' ' H ' ' A' ' 29' ' ' HIS . 44.3 tp60 68.85 175.08 0.28 Allowed 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.212 0.605 . . . . 0.0 110.221 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.616 ' H ' ' HG3' ' A' ' 28' ' ' GLN . 2.0 m-70 64.15 19.56 11.82 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.64 -173.019 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.93 135.59 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.775 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.553 ' O ' ' HB2' ' A' ' 23' ' ' GLN . 23.0 t-20 -102.09 165.37 11.19 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -178.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.546 ' HE2' ' C ' ' A' ' 31' ' ' ASN . 0.5 OUTLIER -101.89 -18.62 15.63 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.621 0.724 . . . . 0.0 109.085 171.006 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.2 m -98.82 106.02 18.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.769 177.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.433 ' HB2' ' CG ' ' A' ' 23' ' ' GLN . 9.3 t -110.01 146.71 34.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.093 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.58 32.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.328 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.65 141.04 30.9 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.573 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.631 HD13 HE21 ' A' ' 80' ' ' GLN . 39.8 mm -98.76 114.7 37.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 CA-C-O 121.699 0.762 . . . . 0.0 111.246 -174.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.512 ' HB3' ' O ' ' A' ' 18' ' ' THR . 54.0 t-80 -113.73 102.74 10.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.089 174.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.533 HD22 ' HB ' ' A' ' 72' ' ' ILE . 2.5 pt? -105.64 147.88 27.98 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.389 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.732 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 30.6 ttt180 -118.24 111.68 19.11 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.98 -176.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.467 ' HB3' ' CG1' ' A' ' 70' ' ' ILE . 65.2 t80 -114.45 113.76 24.91 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -106.16 145.88 30.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.089 -174.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.672 HG13 HD12 ' A' ' 56' ' ' LEU . 1.7 mp -71.82 -44.17 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.994 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -68.38 -18.82 64.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.999 -176.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.11 -19.88 63.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.617 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t 66.06 174.7 0.23 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.981 0.896 . . . . 0.0 111.904 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.51 -43.09 1.3 Allowed Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.467 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.548 HD11 HD11 ' A' ' 56' ' ' LEU . 84.4 mt -76.82 154.4 83.19 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.718 0.294 . . . . 0.0 111.363 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -62.8 166.59 13.59 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.248 2.632 . . . . 0.0 112.419 175.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 68.5 mm-40 -57.75 -52.98 63.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.27 -174.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.42 -41.81 90.4 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -175.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.638 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 98.6 m-85 -69.35 -37.6 77.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.761 0.315 . . . . 0.0 110.373 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.48 ' HA ' HD13 ' A' ' 56' ' ' LEU . 34.3 ttpt -63.68 -40.84 97.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.605 176.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.454 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 98.0 mt-30 -57.05 -50.14 73.66 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.756 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -59.99 -36.25 76.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.398 -177.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.672 HD12 HG13 ' A' ' 43' ' ' ILE . 93.9 mt -56.78 -34.65 67.84 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -174.001 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.476 HD22 HG23 ' A' ' 43' ' ' ILE . 3.2 mm? -89.68 -31.77 17.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.847 0.356 . . . . 0.0 111.321 -178.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.8 p -82.54 -39.06 22.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -174.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -81.97 112.05 18.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.308 0.575 . . . . 0.0 111.237 -174.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.5 p -80.28 70.1 6.86 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.994 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -96.93 130.1 44.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -71.94 71.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.954 0.883 . . . . 0.0 112.514 -173.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.485 HD11 HG22 ' A' ' 94' ' ' VAL . 72.7 mt -146.36 -30.97 0.37 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 113.59 -1.641 . . . . 0.0 108.909 174.06 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.54 ' HA ' HG22 ' A' ' 70' ' ' ILE . 18.2 mm -61.37 136.75 24.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 170.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 m -72.43 -59.54 2.68 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.907 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -169.79 -63.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.761 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -72.21 -80.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.971 0.415 . . . . 0.0 111.269 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -156.83 37.34 0.57 Allowed Glycine 0 C--N 1.316 -0.532 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.866 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.9 148.17 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.54 HG22 ' HA ' ' A' ' 64' ' ' ILE . 31.0 pt -110.61 135.13 50.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.026 0.441 . . . . 0.0 110.505 174.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mp -114.97 121.82 67.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.987 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.629 HG21 HH11 ' A' ' 90' ' ' ARG . 3.5 mp -112.88 123.9 69.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.08 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -99.76 108.12 20.36 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.475 0.655 . . . . 0.0 110.395 173.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.46 124.7 50.62 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.629 -1.169 . . . . 0.0 110.065 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -157.6 104.94 2.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.223 0.535 . . . . 0.0 111.859 -176.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.678 ' HB2' HD12 ' A' ' 82' ' ' LEU . 2.8 tm-20 -87.25 -66.48 0.91 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 165.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -168.99 -85.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.268 169.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.46 -6.49 10.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.68 0.276 . . . . 0.0 111.695 -175.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -75.64 81.59 2.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.168 0.509 . . . . 0.0 109.867 175.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.631 HE21 HD13 ' A' ' 37' ' ' ILE . 2.7 tp60 -56.21 -32.63 64.6 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.382 -177.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.12 -54.96 38.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.208 -176.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.678 HD12 ' HB2' ' A' ' 76' ' ' GLU . 1.6 pp -69.41 -32.75 71.94 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.208 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -59.47 -40.73 87.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.146 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.467 ' O ' HG13 ' A' ' 88' ' ' ILE . 57.1 mtm180 -75.7 -44.69 40.88 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.962 177.681 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -57.31 -45.4 84.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.657 0.265 . . . . 0.0 111.464 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.5 84.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.49 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.98 78.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.546 177.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.581 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.7 mt -61.23 -49.78 83.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.352 177.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.45 -40.36 78.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.878 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.629 HH11 HG21 ' A' ' 72' ' ' ILE . 42.3 ttm180 -67.01 -42.74 84.46 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.026 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 2.9 pp -69.08 -36.95 78.17 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.356 -178.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.521 ' HA ' HD11 ' A' ' 95' ' ' ILE . 98.8 t -63.69 -38.28 81.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 174.262 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -62.2 -42.6 99.44 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.411 175.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.611 HG21 ' O ' ' A' ' 90' ' ' ARG . 69.7 t -55.47 -43.23 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.521 HD11 ' HA ' ' A' ' 92' ' ' VAL . 60.1 mt -57.8 -36.24 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.218 177.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -79.91 -41.17 26.65 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.754 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 17.4 mm-40 -50.37 -42.17 52.95 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -174.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.569 HD22 HD23 ' A' ' 56' ' ' LEU . 9.1 mp -87.91 -8.49 55.7 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.946 -172.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.2 m -118.59 -48.55 2.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.066 0.46 . . . . 0.0 111.249 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -101.89 120.12 39.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.937 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.18 103.83 1.06 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.628 -176.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -146.05 -53.9 0.26 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.216 174.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.402 ' HA ' ' OE1' ' A' ' 97' ' ' GLU . 48.3 mtmt 68.98 100.5 0.06 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.708 0.766 . . . . 0.0 111.834 173.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.408 ' H ' ' CD ' ' A' ' 97' ' ' GLU . 13.1 m -123.07 95.19 4.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.732 -177.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -104.54 94.33 5.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.322 0.582 . . . . 0.0 110.813 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -135.01 96.88 3.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.722 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.06 167.4 12.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.569 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.5 t -132.36 128.7 38.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.069 0.461 . . . . 0.0 110.178 178.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -137.68 82.7 26.39 Favored Pre-proline 0 C--O 1.234 0.279 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.002 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -82.28 150.33 15.38 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 123.086 2.524 . . . . 0.0 112.063 177.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 13.0 p -125.54 -1.93 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.178 0.513 . . . . 0.0 111.226 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -87.42 56.68 4.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.175 -177.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -147.39 97.73 2.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.572 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.5 t -158.29 142.27 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.587 ' HB2' ' HZ2' ' A' ' 115' ' ' LYS . 4.7 ttmp? -135.19 143.44 46.44 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -104.4 119.35 38.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.825 0.345 . . . . 0.0 111.393 -176.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -148.48 118.53 7.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.814 174.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -159.44 133.3 7.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.948 176.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 pp -164.04 142.37 7.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.573 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.6 t 179.77 123.94 0.07 Allowed 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.236 178.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.3 p -161.23 118.62 2.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.558 0.218 . . . . 0.0 111.327 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -177.37 107.68 0.06 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.752 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -119.62 154.04 34.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.812 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -163.92 116.87 1.43 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.98 0.419 . . . . 0.0 110.56 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -128.82 146.56 50.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.143 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 62.5 m -154.88 93.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.074 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 45.2 m -142.57 136.97 29.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 4.2 p -134.19 108.75 11.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.41 0.624 . . . . 0.0 109.952 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.443 ' HZ1' ' HB2' ' A' ' 129' ' ' LYS . 9.8 mtmp? -130.7 133.3 45.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.023 -178.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -144.74 95.63 2.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.622 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -103.93 98.93 8.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.276 -175.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -106.99 128.06 54.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.497 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -165.49 109.78 0.38 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.812 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 149.6 22.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.94 0.4 . . . . 0.0 110.241 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.29 131.67 41.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.371 -176.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -121.41 141.13 51.28 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 173.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -153.53 102.64 2.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.865 -172.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -95.9 165.65 1.34 Allowed 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.419 2.746 . . . . 0.0 111.886 172.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 57.1 tp -156.21 127.38 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.335 -0.228 . . . . 0.0 111.242 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -160.13 137.25 9.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . 0.606 HD22 ' H ' ' A' ' 141' ' ' LEU . 2.5 pt? -119.64 172.6 7.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.676 0.274 . . . . 0.0 110.678 -176.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.68 144.35 43.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.876 0.37 . . . . 0.0 110.504 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -171.03 128.42 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.878 0.371 . . . . 0.0 110.576 177.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -154.73 156.76 36.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -81.24 120.79 25.34 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -66.23 142.94 57.53 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -83.89 -45.56 13.08 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.253 176.311 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.523 ' HA ' ' HB2' ' A' ' 12' ' ' ASP . 23.7 ttt . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.699 HD13 HD12 ' A' ' 15' ' ' LEU . 48.3 mm -99.95 115.79 41.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.6 0.238 . . . . 0.0 110.793 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.46 121.73 45.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.55 177.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 5' ' ' SER . 28.0 mm -107.02 165.38 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.531 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 1.3 p -59.77 151.23 25.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 174.368 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.531 ' HB2' ' O ' ' A' ' 5' ' ' SER . 12.2 mpt_? 70.73 -172.84 0.17 Allowed 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.647 0.592 . . . . 0.0 109.727 -168.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 t -86.89 47.94 1.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.911 0.862 . . . . 0.0 110.403 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.7 t -111.96 113.15 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.562 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 m -123.51 153.92 39.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.021 0.438 . . . . 0.0 110.409 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.568 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 72.0 mt -131.47 137.81 54.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.517 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -61.47 148.79 40.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.259 0.552 . . . . 0.0 111.527 -175.681 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.523 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 28.5 t70 -68.28 -29.77 68.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.357 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -83.49 -13.31 54.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.022 -179.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.517 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 21.4 mt-10 -73.97 -8.84 57.62 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.711 0.291 . . . . 0.0 111.42 -179.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.699 HD12 HD13 ' A' ' 2' ' ' ILE . 98.4 mt -78.0 129.23 35.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.717 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -89.23 109.63 20.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.4 0.619 . . . . 0.0 110.382 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.4 mm -102.01 123.29 55.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.531 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.85 149.85 34.44 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.77 140.73 29.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.952 0.406 . . . . 0.0 110.504 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.44 HD11 ' HB2' ' A' ' 38' ' ' HIS . 39.7 mm -74.46 127.59 36.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.918 177.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -144.83 103.5 3.91 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.22 -58.72 3.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.254 -168.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -155.61 175.48 13.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.02 0.438 . . . . 0.0 111.63 -173.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.91 126.86 9.06 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 173.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 28' ' ' GLN . . . -97.48 160.33 14.39 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.713 0.257 . . . . 0.0 110.94 -174.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.64 -46.88 29.41 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.954 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.52 26.77 4.84 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.076 -0.809 . . . . 0.0 111.076 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.515 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 26.9 mt-30 64.89 -178.93 0.18 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.18 0.592 . . . . 0.0 111.432 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 44.62 93.67 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.299 1.04 . . . . 0.0 113.592 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -129.73 -56.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.777 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -111.61 171.15 7.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.485 171.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -64.31 157.03 27.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.55 0.214 . . . . 0.0 111.226 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 t -64.5 108.14 1.57 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.968 0.89 . . . . 0.0 110.326 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.4 p -77.26 88.58 3.69 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.141 -176.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 m -106.0 25.58 10.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.612 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.35 174.38 10.28 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.613 -178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.552 ' HB ' ' HB1' ' A' ' 74' ' ' ALA . 49.5 mm -101.18 117.7 46.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.915 -175.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.44 ' HB2' HD11 ' A' ' 20' ' ' ILE . 14.5 t-80 -114.56 105.57 13.24 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.138 0.494 . . . . 0.0 109.771 174.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.414 ' H ' HD22 ' A' ' 39' ' ' LEU . 2.0 pt? -106.15 150.06 26.2 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.397 -177.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -124.62 107.64 11.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.469 0.652 . . . . 0.0 110.041 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -97.62 104.44 16.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.895 -177.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.421 ' HA ' ' HA ' ' A' ' 69' ' ' VAL . 28.3 t0 -105.18 126.84 52.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -177.257 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.681 HG22 ' HG3' ' A' ' 53' ' ' LYS . 56.9 mt -56.54 -43.31 77.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.436 177.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -65.32 -14.66 61.29 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.014 -174.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.24 -14.62 58.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 0.0 111.7 -177.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 t -135.84 -170.01 2.53 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -123.61 69.98 0.45 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.915 -0.659 . . . . 0.0 111.95 -179.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.4 mt -75.23 153.85 86.24 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -55.43 141.98 81.18 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.499 2.132 . . . . 0.0 112.117 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.579 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 6.9 tp10 -52.55 -41.19 63.31 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.737 -174.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -54.18 -44.68 71.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.551 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -66.49 -42.4 87.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.082 -177.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.681 ' HG3' HG22 ' A' ' 43' ' ' ILE . 27.0 ttpt -62.54 -38.02 88.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.342 -178.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.579 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 33.4 mm-40 -55.84 -49.96 71.87 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.784 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -67.32 -39.51 85.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.38 -28.4 67.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.606 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.2 mt -82.72 -29.32 29.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.62 0.248 . . . . 0.0 111.651 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.6 p -84.96 -43.29 14.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.13 122.62 16.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.128 0.49 . . . . 0.0 111.59 -177.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.2 m -89.32 52.83 2.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.64 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -84.5 126.85 33.66 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -54.57 -27.95 42.58 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -173.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 71.4 mt -57.74 -26.01 61.22 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.483 HD11 HG12 ' A' ' 70' ' ' ILE . 42.3 mm -73.46 129.59 36.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 175.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.732 ' HB3' HG11 ' A' ' 69' ' ' VAL . 32.4 t -84.87 -51.04 7.03 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -170.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -149.76 -83.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.389 -175.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.84 -84.88 0.11 Allowed 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.331 0.586 . . . . 0.0 110.396 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.463 ' O ' HG13 ' A' ' 43' ' ' ILE . . . -137.32 36.22 1.98 Allowed Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.521 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.732 HG11 ' HB3' ' A' ' 65' ' ' SER . 7.1 p -111.08 141.95 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.483 HG12 HD11 ' A' ' 64' ' ' ILE . 52.3 mt -109.79 124.05 66.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.845 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.498 HD12 ' HB2' ' A' ' 65' ' ' SER . 1.4 mp -103.2 115.39 45.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.584 0.707 . . . . 0.0 110.195 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 44.6 mm -122.23 128.12 75.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.051 -179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -98.16 122.7 41.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.323 0.582 . . . . 0.0 110.526 171.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.552 ' HB1' ' HB ' ' A' ' 37' ' ' ILE . . . -106.05 122.18 45.64 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.559 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -156.48 104.0 2.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.597 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -93.1 -67.52 0.85 Allowed 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 173.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 73.6 t80 175.93 -36.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.003 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -152.66 166.94 30.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.245 -177.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.3 m 60.47 88.95 0.07 Allowed 'General case' 0 C--O 1.233 0.232 0 O-C-N 124.031 0.832 . . . . 0.0 112.008 176.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.49 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 0.8 OUTLIER -60.39 -28.71 68.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.863 -178.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -50.79 -53.85 28.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.282 176.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.5 pp -73.64 -27.83 61.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.067 0.461 . . . . 0.0 110.182 -176.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.455 ' OD1' ' HA ' ' A' ' 80' ' ' GLN . 10.8 m120 -60.49 -39.44 87.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.16 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 38.3 mtm180 -64.41 -49.61 70.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.354 178.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -54.74 -43.93 73.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.221 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.476 ' O ' ' HG2' ' A' ' 90' ' ' ARG . . . -63.64 -44.12 94.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.129 178.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.507 ' HB1' ' HB2' ' A' ' 74' ' ' ALA . . . -59.86 -44.84 93.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.349 178.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.416 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 88.4 mt -60.15 -51.11 76.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.533 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.11 75.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.391 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.485 ' O ' HG22 ' A' ' 94' ' ' VAL . 17.7 mmm-85 -67.78 -48.73 65.52 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.705 178.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.441 ' O ' HG13 ' A' ' 95' ' ' ILE . 3.0 pp -66.57 -39.84 88.67 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.094 -175.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.3 t -64.69 -38.17 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.906 0.384 . . . . 0.0 110.099 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.635 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -61.81 -43.76 98.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.579 177.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.485 HG22 ' O ' ' A' ' 90' ' ' ARG . 90.1 t -59.06 -42.28 85.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.851 0.358 . . . . 0.0 110.59 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 91' ' ' LEU . 79.5 mt -58.09 -41.65 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.263 176.426 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -73.27 -24.67 60.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.622 -179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.635 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 32.7 mm-40 -66.23 -43.15 87.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.111 0.481 . . . . 0.0 109.725 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.3 mp -75.84 -30.22 58.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.616 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 40.3 p -105.33 25.8 10.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 0.0 111.331 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.37 111.58 9.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.615 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -80.34 89.75 5.55 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.312 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 49.4 mt-30 -138.91 163.83 31.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.273 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -128.05 113.11 15.37 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.271 0.558 . . . . 0.0 111.088 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 p -81.43 -17.36 49.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.021 176.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -131.33 151.48 51.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.983 176.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -70.51 103.93 2.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.625 0.726 . . . . 0.0 110.917 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -108.12 15.42 24.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.1 -176.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.7 t 42.95 80.42 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 O-C-N 124.37 1.044 . . . . 0.0 112.54 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -130.78 102.76 16.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.56 -177.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -87.38 33.59 0.42 Allowed 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 123.532 2.821 . . . . 0.0 112.726 -178.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.7 p -87.79 130.85 34.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.456 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -141.37 -61.45 0.47 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.067 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 64.24 97.3 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.991 0.807 . . . . 0.0 112.589 178.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.3 t -112.33 125.21 53.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.553 175.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.5 tptt -106.49 130.46 54.28 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -145.65 119.55 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.438 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -161.98 134.64 5.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.062 173.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -141.51 158.42 43.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.068 177.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 1.7 pt? -156.78 93.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.552 0.691 . . . . 0.0 110.526 178.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.6 m -81.39 79.37 8.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.131 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.4 p -109.19 131.37 55.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.87 -178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -174.99 121.91 0.22 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -143.16 95.21 2.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.949 0.404 . . . . 0.0 111.552 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -170.36 88.91 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.572 173.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -136.56 90.5 2.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.554 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 62.1 m -93.58 103.46 15.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.806 176.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 24.7 t -99.07 111.36 23.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.237 -179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.9 m -77.85 157.08 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.146 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -133.95 122.17 22.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.549 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -95.24 139.89 30.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.437 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.5 mp -89.65 107.79 19.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.226 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 132' ' ' ARG . 49.3 mtt180 -87.1 94.62 9.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.211 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.74 133.76 1.81 Allowed Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.696 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -120.03 173.14 7.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.13 0.491 . . . . 0.0 110.987 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.3 m -101.35 -170.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.371 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.49 ' HD2' ' H ' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -112.11 -177.56 3.2 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.658 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -87.09 106.15 10.22 Favored Pre-proline 0 C--N 1.326 -0.416 0 C-N-CA 120.736 -0.386 . . . . 0.0 109.98 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 136' ' ' ARG . 72.1 Cg_endo -77.21 123.11 6.46 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.502 2.135 . . . . 0.0 112.346 -175.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.15 74.86 8.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.22 0.533 . . . . 0.0 109.989 177.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -99.37 109.26 21.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.6 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 58.5 tp -82.74 123.22 29.1 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.834 -172.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -85.69 123.59 31.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.293 172.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -109.04 137.28 47.19 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.481 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -74.17 145.1 44.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.647 -178.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -166.52 132.34 2.34 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.778 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -150.51 109.03 3.8 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -161.23 135.66 7.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.476 -177.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 119.08 -0.486 . . . . 0.0 109.993 175.766 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.449 ' SD ' ' HA ' ' A' ' 11' ' ' ALA . 14.0 tpt . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.435 ' N ' HD13 ' A' ' 2' ' ' ILE . 3.9 mp -106.63 109.67 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.0 0.429 . . . . 0.0 109.997 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.33 108.61 20.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.794 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.683 ' HB ' HG13 ' A' ' 8' ' ' VAL . 35.8 mm -93.98 160.64 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -178.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 14.2 m -62.96 155.53 27.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 176.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 5' ' ' SER . 37.1 mmt180 73.02 -164.49 0.11 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.481 0.488 . . . . 0.0 110.61 -175.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.2 t -89.68 37.25 0.87 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -173.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.683 HG13 ' HB ' ' A' ' 4' ' ' ILE . 8.6 p -122.59 129.49 75.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.509 0.671 . . . . 0.0 111.563 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m -128.61 149.26 50.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.539 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.421 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 68.5 mt -124.92 128.79 73.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.836 0.351 . . . . 0.0 110.561 -178.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.449 ' HA ' ' SD ' ' A' ' 1' ' ' MET . . . -66.64 151.28 47.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.56 -178.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.34 -34.67 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.255 -172.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -87.49 3.1 48.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.08 0.467 . . . . 0.0 111.347 -174.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.437 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 5.5 mm-40 -90.32 -19.55 23.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -175.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.4 mt -85.5 163.26 18.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.052 0.453 . . . . 0.0 111.106 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -89.15 98.05 11.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.916 175.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.1 mm -101.84 112.55 35.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.126 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.37 150.37 37.85 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.462 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.22 114.76 27.32 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 173.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.532 HD12 ' HB3' ' A' ' 36' ' ' ALA . 46.8 mt -55.47 118.26 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.217 0.532 . . . . 0.0 110.591 -176.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.36 -62.67 1.48 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.878 -176.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.88 -170.63 0.14 Allowed 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.734 0.646 . . . . 0.0 111.34 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -96.33 70.84 2.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.385 0.612 . . . . 0.0 109.589 176.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.32 51.23 3.67 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.648 -0.706 . . . . 0.0 112.295 -178.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.28 149.32 34.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.542 0.21 . . . . 0.0 110.502 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.2 149.9 11.7 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.262 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -83.75 67.79 3.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.08 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.483 ' HG2' ' H ' ' A' ' 29' ' ' HIS . 45.0 tt0 -114.84 176.22 5.15 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -178.446 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.483 ' H ' ' HG2' ' A' ' 28' ' ' GLN . 56.2 t60 -104.97 23.25 13.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.573 0.702 . . . . 0.0 110.551 -173.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -57.18 -67.46 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.194 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 62.5 174.09 0.14 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.956 175.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 65.76 176.38 0.22 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.807 175.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 m 57.93 26.82 13.83 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.597 0.713 . . . . 0.0 110.745 177.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.4 m -94.62 103.03 14.97 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.282 -177.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.407 ' HB2' ' HB3' ' A' ' 113' ' ' ALA . 42.1 m 68.57 86.48 0.13 Allowed 'General case' 0 C--O 1.232 0.164 0 O-C-N 123.977 0.798 . . . . 0.0 110.656 -176.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.532 ' HB3' HD12 ' A' ' 20' ' ' ILE . . . -136.46 179.36 6.41 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.674 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.554 HD13 ' HB3' ' A' ' 80' ' ' GLN . 45.4 mm -100.21 119.72 48.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.57 0.7 . . . . 0.0 111.515 -176.081 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.475 ' HB2' HG12 ' A' ' 20' ' ' ILE . 22.0 t-80 -109.97 114.69 28.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.895 175.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.452 HD23 ' HB3' ' A' ' 87' ' ' ALA . 2.1 pt? -128.44 144.82 51.2 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -121.19 121.06 36.97 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.327 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.469 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 4.3 t80 -96.66 101.45 13.06 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.427 ' HA ' HG22 ' A' ' 69' ' ' VAL . 24.2 t70 -101.6 142.0 33.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.141 -168.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.535 HG21 ' HE3' ' A' ' 53' ' ' LYS . 1.8 mp -78.83 -42.83 24.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.853 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.2 ttm-85 -63.45 -31.75 73.0 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.697 0.284 . . . . 0.0 110.99 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.31 -22.83 54.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.831 173.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.0 p 62.24 154.16 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.268 1.427 . . . . 0.0 113.508 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.28 -38.41 0.96 Allowed Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.673 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 90.7 mt -75.57 144.42 77.29 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.44 -0.38 . . . . 0.0 110.512 177.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.15 158.01 54.38 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.856 2.371 . . . . 0.0 111.788 176.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.34 -36.69 66.55 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.223 -176.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -59.07 -53.0 63.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.418 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 85.7 m-85 -68.07 -35.37 78.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.852 -178.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.535 ' HE3' HG21 ' A' ' 43' ' ' ILE . 1.2 tmtp? -58.24 -50.51 73.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.931 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -63.35 -41.67 98.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 55' ' ' ARG . 10.9 mmt180 -58.74 -44.38 90.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.901 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.597 HD22 HD21 ' A' ' 98' ' ' LEU . 96.0 mt -63.38 -35.32 80.03 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.01 0.433 . . . . 0.0 111.29 -177.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.98 -14.73 57.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.298 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.6 m -92.79 -52.08 4.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.754 0.311 . . . . 0.0 111.428 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.44 117.03 17.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.89 0.376 . . . . 0.0 111.335 -176.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.8 t -77.55 75.08 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.419 0.628 . . . . 0.0 110.134 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.409 ' C ' ' H ' ' A' ' 63' ' ' LEU . 4.2 t60 -93.39 128.81 39.61 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -73.75 21.3 0.09 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -169.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.409 ' H ' ' C ' ' A' ' 61' ' ' HIS . 83.1 mt -97.92 -13.05 21.41 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.304 0.573 . . . . 0.0 109.78 172.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.1 mm -78.02 130.32 36.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 173.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.877 ' HG ' HD12 ' A' ' 71' ' ' ILE . 15.9 p -82.32 -83.55 0.13 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.866 0.365 . . . . 0.0 111.659 -174.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -146.56 -47.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.202 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -74.88 15.98 0.34 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -177.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.424 ' O ' HD12 ' A' ' 43' ' ' ILE . . . 71.52 19.63 77.88 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.431 -175.296 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 42' ' ' ASP . 2.7 p -106.0 143.87 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.469 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 22.8 mt -86.58 117.14 30.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.147 -178.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.877 HD12 ' HG ' ' A' ' 65' ' ' SER . 1.7 mp -103.79 119.38 52.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.278 0.561 . . . . 0.0 110.11 177.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.9 mp -108.3 116.76 52.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.701 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -94.25 104.17 16.17 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.441 0.638 . . . . 0.0 109.597 173.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.55 ' HB1' ' HB ' ' A' ' 37' ' ' ILE . . . -102.29 123.16 45.62 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.829 -174.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -164.13 104.84 0.88 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.136 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.609 ' HG3' ' HB2' ' A' ' 109' ' ' ARG . 28.8 tt0 -121.07 -79.23 0.6 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.754 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -161.57 105.25 1.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.545 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 69.66 151.44 0.09 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 172.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.483 ' HB3' HD21 ' A' ' 82' ' ' LEU . 45.1 t 65.71 111.03 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.22 -0.9 . . . . 0.0 113.14 172.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.554 ' HB3' HD13 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -58.34 -34.93 71.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.718 172.927 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -60.57 -54.95 39.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.402 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.483 HD21 ' HB3' ' A' ' 79' ' ' SER . 0.9 OUTLIER -71.1 -31.97 68.46 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.399 -176.128 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.92 -32.75 74.22 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -64.49 -51.48 62.78 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.228 0.537 . . . . 0.0 109.891 175.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.92 -38.55 79.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.688 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.629 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -64.17 -40.84 96.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.487 175.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . . . -60.26 -40.9 91.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.569 175.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 84.2 mt -60.31 -50.22 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.755 175.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.98 -39.54 74.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.629 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 10.5 mpt_? -60.29 -53.78 53.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.269 176.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 4.0 pp -68.21 -36.72 79.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.549 0.214 . . . . 0.0 111.382 -174.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.98 -41.42 86.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.583 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.56 -43.92 88.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.772 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 90' ' ' ARG . 98.8 t -61.69 -41.57 90.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.119 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 91' ' ' LEU . 88.3 mt -58.48 -39.84 76.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.31 0.576 . . . . 0.0 110.39 176.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.557 ' HB3' ' HD2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -72.61 -19.41 61.47 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.374 177.399 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.502 ' HG2' ' H ' ' A' ' 103' ' ' LYS . 41.7 mt-10 -65.7 -32.44 74.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.148 0.499 . . . . 0.0 110.617 175.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.597 HD21 HD22 ' A' ' 56' ' ' LEU . 10.3 mp -89.85 -8.32 52.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.725 -176.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.432 ' OG1' ' HA ' ' A' ' 96' ' ' LYS . 2.7 p -114.75 -53.96 2.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.991 0.425 . . . . 0.0 110.998 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.36 169.58 10.12 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 175.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -74.58 84.12 2.05 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -177.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 45.33 111.37 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 169.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.557 ' HD2' ' HB3' ' A' ' 96' ' ' LYS . 64.5 mttm -124.02 121.07 34.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.506 176.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.2 p -152.71 150.99 30.01 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -126.03 148.14 49.38 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 174.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.13 49.52 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 111.004 -175.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.51 124.94 34.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.171 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.6 m -124.6 110.39 14.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.086 0.469 . . . . 0.0 112.163 -175.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.609 ' HB2' ' HG3' ' A' ' 76' ' ' GLU . 6.0 mpt_? -125.74 123.75 24.8 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.836 173.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' A' ' 109' ' ' ARG . 11.3 Cg_endo -89.51 105.82 0.39 Allowed 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.859 2.373 . . . . 0.0 112.017 176.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.527 ' HB ' ' O ' ' A' ' 76' ' ' GLU . 14.1 t -97.91 158.36 15.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.03 0.443 . . . . 0.0 110.564 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.21 144.56 23.19 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 174.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.407 ' HB3' ' HB2' ' A' ' 35' ' ' SER . . . -128.17 99.05 5.31 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.051 0.453 . . . . 0.0 110.906 178.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.6 m -104.9 104.5 14.28 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 176.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.426 ' O ' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -128.43 153.38 47.16 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.001 0.429 . . . . 0.0 111.386 -177.311 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -129.7 29.46 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.449 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -70.27 120.84 16.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.562 0.696 . . . . 0.0 111.6 -173.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -157.03 122.33 4.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.404 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.1 tp -134.48 124.01 24.9 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.279 -175.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.2 t -155.28 94.53 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.874 174.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.8 t -171.05 104.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.478 -175.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . 0.412 ' HB2' ' HZ2' ' A' ' 122' ' ' LYS . 9.8 mtmp? -131.74 132.34 43.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.939 176.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -148.2 137.81 22.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.762 0.315 . . . . 0.0 110.867 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -136.74 124.75 22.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.141 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -128.49 128.68 44.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.712 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.3 m -140.06 -165.07 1.82 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.429 -173.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.6 m 69.93 97.04 0.06 Allowed 'General case' 0 C--O 1.231 0.081 0 O-C-N 124.036 0.835 . . . . 0.0 111.499 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.57 133.76 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.638 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -145.54 122.97 11.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.239 0.542 . . . . 0.0 111.439 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -167.63 97.2 0.47 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.019 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.1 pp -124.51 163.13 22.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.817 -177.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -172.16 168.95 5.63 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.234 0.334 . . . . 0.0 110.229 178.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.59 155.51 26.52 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -151.43 125.02 8.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.001 0.429 . . . . 0.0 111.301 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 3.0 m -144.24 137.14 23.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.44 175.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -162.36 137.02 6.78 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -113.07 103.89 55.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.882 0.372 . . . . 0.0 111.327 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -89.81 179.9 2.0 Allowed 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 123.64 2.893 . . . . 0.0 110.869 171.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 57.1 tp -161.77 117.97 2.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.056 0.455 . . . . 0.0 111.329 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -112.67 130.48 56.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.625 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.7 tt -166.6 101.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.93 113.63 5.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 178.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -137.82 88.67 2.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.179 0.514 . . . . 0.0 110.948 176.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -113.98 115.87 28.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.43 174.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.408 ' CE1' ' HB2' ' A' ' 147' ' ' HIS . 48.9 t-80 -131.88 131.62 42.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.904 -173.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -134.37 96.84 3.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.966 176.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . 0.408 ' HB2' ' CE1' ' A' ' 145' ' ' HIS . 83.3 t60 -83.81 88.22 7.1 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.819 0.343 . . . . 0.0 110.139 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 . . . . . 0 C--O 1.247 0.947 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.82 -178.33 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.493 ' HE3' ' HB3' ' A' ' 9' ' ' SER . 14.2 tpt . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.432 HD11 ' N ' ' A' ' 2' ' ' ILE . 3.9 mp -112.34 106.55 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.028 0.442 . . . . 0.0 110.431 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.425 ' HA ' ' HA ' ' A' ' 9' ' ' SER . . . -94.14 119.54 33.12 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.231 176.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.417 HG23 HD13 ' A' ' 95' ' ' ILE . 17.3 mm -83.67 165.67 2.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 p -61.21 152.25 29.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.769 0.319 . . . . 0.0 111.011 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 7' ' ' THR . 68.9 mtt180 71.23 34.85 1.69 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.883 -178.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.457 HG23 ' O ' ' A' ' 6' ' ' ARG . 3.3 t 56.56 20.83 5.19 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.65 1.18 . . . . 0.0 113.241 172.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.3 t -92.37 104.47 15.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.493 ' HB3' ' HE3' ' A' ' 1' ' ' MET . 14.2 m -100.15 154.78 18.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.236 0.541 . . . . 0.0 112.003 -174.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 64.1 mt -130.29 124.11 57.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.324 176.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.475 ' HA ' ' SD ' ' A' ' 1' ' ' MET . . . -77.31 153.69 33.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.04 -177.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -62.98 -22.39 66.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.358 0.599 . . . . 0.0 110.24 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -66.63 -28.17 68.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.865 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.83 -16.85 43.02 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.301 -175.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.405 HD13 HD13 ' A' ' 2' ' ' ILE . 88.6 mt -85.51 150.81 24.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.208 -177.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.911 ' HB2' ' HB3' ' A' ' 40' ' ' ARG . 40.1 mt-10 -88.12 101.16 13.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 175.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.3 mm -100.12 130.93 48.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.99 -173.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.51 146.55 36.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.06 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.35 133.38 35.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.69 173.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.557 ' HB ' ' HB1' ' A' ' 36' ' ' ALA . 51.5 mt -73.12 118.96 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.084 0.468 . . . . 0.0 110.364 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -93.45 31.47 1.52 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.966 -177.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.512 ' H ' HG22 ' A' ' 20' ' ' ILE . . . -146.11 -171.59 3.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.469 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -79.48 6.15 11.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.695 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.589 ' HA3' ' OE1' ' A' ' 75' ' ' GLN . . . 77.95 -87.16 1.07 Allowed Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.964 174.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.417 ' HB2' ' HZ1' ' A' ' 73' ' ' LYS . . . -150.75 159.3 44.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.686 0.279 . . . . 0.0 110.66 -177.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.86 -175.63 26.81 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.539 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 158.51 -55.72 0.36 Allowed Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -123.38 -174.86 3.05 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 171.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.439 ' HD2' ' OD1' ' A' ' 31' ' ' ASN . 19.9 p-80 -60.97 126.83 28.81 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 t -98.36 125.22 51.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.271 0.558 . . . . 0.0 111.374 -172.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.439 ' OD1' ' HD2' ' A' ' 29' ' ' HIS . 23.5 m120 -134.8 13.96 3.66 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.753 176.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -83.23 150.2 26.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.064 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.7 t -85.63 170.66 12.33 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.18 44.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -176.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.437 ' HB2' ' HG2' ' A' ' 78' ' ' ARG . 61.8 m -103.7 70.26 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 173.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.557 ' HB1' ' HB ' ' A' ' 20' ' ' ILE . . . -121.74 157.82 30.13 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.801 -175.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mm -100.36 132.24 46.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.288 -177.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -132.51 104.42 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.438 175.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.577 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.3 pt? -116.85 144.33 44.63 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.045 0.45 . . . . 0.0 110.484 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.911 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 10.1 ttt180 -112.58 108.21 17.21 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.813 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -96.63 103.86 15.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.879 -176.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -103.93 146.5 28.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.91 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.766 HG12 HD12 ' A' ' 56' ' ' LEU . 1.4 mp -85.67 -42.07 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.371 -177.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -61.46 -23.18 65.69 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.609 -174.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.74 -26.21 68.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.622 176.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.5 t -130.12 -166.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.45 78.51 0.36 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.925 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 75.2 mt -75.69 155.72 85.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.529 0.204 . . . . 0.0 110.842 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.4 ' HB2' ' HD2' ' A' ' 52' ' ' TYR . 50.5 Cg_exo -53.37 149.82 28.43 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.976 2.451 . . . . 0.0 112.613 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.04 -37.14 78.93 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -170.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -64.06 -46.26 85.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.543 0.211 . . . . 0.0 111.238 -177.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.58 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 89.3 m-85 -64.69 -45.4 86.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.93 0.395 . . . . 0.0 109.938 175.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -52.96 -48.11 67.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.941 -178.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -72.75 -42.22 64.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.646 0.26 . . . . 0.0 111.255 -176.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -62.29 -33.9 75.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.766 HD12 HG12 ' A' ' 43' ' ' ILE . 91.8 mt -57.53 -42.02 82.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.923 0.392 . . . . 0.0 111.705 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.02 -14.47 31.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.549 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.4 m -93.72 -42.57 9.08 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.78 0.324 . . . . 0.0 111.617 -177.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.93 97.57 10.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.465 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.5 m -68.21 100.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.288 0.566 . . . . 0.0 111.553 -174.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -108.15 140.26 41.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.19 174.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -86.25 11.02 13.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.863 0.84 . . . . 0.0 110.074 -174.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.417 ' HG ' ' HB3' ' A' ' 106' ' ' ARG . 5.5 mp -86.28 -6.75 58.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.302 -1.317 . . . . 0.0 108.993 170.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.442 HD11 HG13 ' A' ' 70' ' ' ILE . 48.0 mm -82.65 136.0 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.54 175.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.512 ' CB ' HD13 ' A' ' 71' ' ' ILE . 29.6 t -80.48 -84.46 0.1 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.546 -176.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -121.84 -86.58 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -170.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -87.92 49.0 1.72 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.579 0.704 . . . . 0.0 110.793 -173.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.65 29.53 63.37 Favored Glycine 0 C--O 1.226 -0.352 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.643 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.443 HG11 ' NH1' ' A' ' 40' ' ' ARG . 7.7 p -112.7 144.87 19.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.482 0.182 . . . . 0.0 110.565 -177.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.442 HG13 HD11 ' A' ' 64' ' ' ILE . 4.3 mp -98.53 124.75 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.583 -176.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.609 HG21 ' HG2' ' A' ' 110' ' ' PRO . 2.3 mp -121.23 123.76 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.89 0.376 . . . . 0.0 110.061 175.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.577 ' HB ' HD21 ' A' ' 39' ' ' LEU . 3.6 mp -106.0 143.13 17.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.638 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.604 ' HD2' ' HG3' ' A' ' 110' ' ' PRO . 51.7 mtpt -118.04 146.83 43.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.011 0.434 . . . . 0.0 110.558 176.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.74 135.07 19.41 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.149 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.589 ' OE1' ' HA3' ' A' ' 24' ' ' GLY . 12.6 pt20 -158.37 104.34 1.83 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.893 0.378 . . . . 0.0 110.472 -176.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -146.98 -85.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 176.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.412 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 20.4 t80 -92.78 10.83 29.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.359 -169.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.437 ' HG2' ' HB2' ' A' ' 35' ' ' SER . 23.1 mtm180 74.0 -35.9 0.32 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.375 0.67 . . . . 0.0 112.125 178.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.7 m -56.69 106.82 0.33 Allowed 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.027 0.441 . . . . 0.0 110.569 177.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.539 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 21.5 mp0 -59.25 -36.58 75.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.127 -175.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -51.07 -54.08 28.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.414 0.446 . . . . 0.0 111.481 -176.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.648 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 3.6 pp -76.41 -30.12 57.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.176 0.513 . . . . 0.0 111.03 -176.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -68.7 -37.33 79.45 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.727 176.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 18.3 mtm180 -68.29 -47.4 67.72 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.7 177.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.648 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 12.9 pt-20 -65.22 -33.59 76.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 111.129 -176.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.77 82.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.871 0.367 . . . . 0.0 110.495 173.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.6 94.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.191 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.534 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 88.8 mt -59.86 -49.61 83.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.157 175.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.61 -44.79 77.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.914 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -61.35 -44.29 97.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.959 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.2 pp -72.79 -38.19 67.33 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.979 -176.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.523 ' HA ' HD11 ' A' ' 95' ' ' ILE . 82.6 t -63.46 -39.19 84.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.936 0.398 . . . . 0.0 109.93 177.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -60.85 -44.73 96.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.607 176.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.3 t -58.16 -37.87 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.039 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.523 HD11 ' HA ' ' A' ' 92' ' ' VAL . 82.1 mt -56.23 -43.52 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 110.262 175.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -69.46 -37.91 77.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.838 177.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 29.7 mm-40 -60.02 -43.36 95.33 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.462 -178.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.613 HD22 HD21 ' A' ' 56' ' ' LEU . 10.6 mp -76.09 -15.38 60.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.246 -178.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.4 m -80.14 -29.33 38.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.585 0.707 . . . . 0.0 109.432 174.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.94 165.55 15.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.237 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -94.12 14.51 19.77 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -97.34 -179.41 4.49 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.564 -171.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -101.24 142.48 32.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.204 0.526 . . . . 0.0 112.368 -170.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.7 t -139.93 117.81 11.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.0 173.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -121.27 125.06 46.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.271 -172.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.417 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 36.4 ttt180 -168.01 143.14 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 173.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -104.03 111.04 23.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.653 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 61.0 m -151.33 105.17 3.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.73 0.3 . . . . 0.0 111.139 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -139.63 87.85 12.83 Favored Pre-proline 0 C--O 1.234 0.286 0 CA-C-O 121.006 0.431 . . . . 0.0 111.412 174.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.609 ' HG2' HG21 ' A' ' 71' ' ' ILE . 38.9 Cg_endo -100.02 76.28 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.163 0 C-N-CA 123.754 2.97 . . . . 0.0 111.659 172.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -78.46 109.52 12.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.599 -176.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -154.79 104.61 2.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.783 174.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -153.47 116.18 4.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.706 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.5 m -148.64 117.43 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.403 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -174.28 98.44 0.1 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.774 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -149.76 133.24 16.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.064 0.459 . . . . 0.0 111.745 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -155.36 106.11 2.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.75 171.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.53 141.3 50.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.547 -179.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.44 ' HG ' ' H ' ' A' ' 120' ' ' SER . 13.8 tp -173.88 -179.42 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.473 -175.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.44 ' H ' ' HG ' ' A' ' 119' ' ' LEU . 56.9 p 73.13 129.38 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.06 1.344 . . . . 0.0 112.774 174.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.8 p 173.63 113.56 0.02 OUTLIER 'General case' 0 C--O 1.233 0.232 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.684 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -147.86 130.98 16.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.04 0.448 . . . . 0.0 111.596 -176.241 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -168.69 108.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.957 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -135.02 125.58 26.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.994 0.426 . . . . 0.0 111.628 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -162.54 166.77 24.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.03 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.4 t -175.45 139.58 0.45 Allowed 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.377 0.423 . . . . 0.0 110.037 -175.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.2 m -150.48 136.2 18.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.41 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.7 p -157.83 140.19 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.131 -176.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -138.5 150.49 46.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.294 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -154.92 107.99 2.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.392 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.564 ' HG ' ' HG3' ' A' ' 132' ' ' ARG . 2.6 pt? -169.21 -178.02 3.06 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.935 -178.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.564 ' HG3' ' HG ' ' A' ' 131' ' ' LEU . 99.5 mtt180 77.07 156.17 0.17 Allowed 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.302 1.001 . . . . 0.0 112.183 178.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 168.27 163.66 22.62 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.811 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -162.69 132.23 4.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.164 0.482 . . . . 0.0 110.844 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 48.6 t -126.59 126.08 68.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.775 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -135.47 144.7 46.54 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -135.69 94.85 14.58 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 120.921 0.391 . . . . 0.0 110.637 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -88.68 117.85 0.95 Allowed 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.296 2.664 . . . . 0.0 112.398 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 87.9 mt -100.74 118.25 36.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.54 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -120.87 178.03 4.87 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.4 mt -124.12 157.51 34.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.354 0.597 . . . . 0.0 112.215 -170.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -122.71 159.87 27.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.17 -0.923 . . . . 0.0 108.823 173.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -161.09 82.49 0.64 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.03 0.443 . . . . 0.0 110.481 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -83.77 115.16 22.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.012 177.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -112.41 116.17 29.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.296 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -103.14 129.74 50.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.051 178.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -75.85 134.27 40.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.891 0.377 . . . . 0.0 110.549 -178.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.635 -0.698 . . . . 0.0 109.524 176.647 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.459 ' HE2' ' HB3' ' A' ' 9' ' ' SER . 27.2 ttt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.835 HD13 HD12 ' A' ' 15' ' ' LEU . 45.8 mm -105.4 132.06 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.035 0.445 . . . . 0.0 111.234 -178.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.62 120.85 38.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.252 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.861 ' HB ' HG12 ' A' ' 8' ' ' VAL . 34.7 mm -98.89 164.2 2.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -178.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.456 ' N ' HG23 ' A' ' 4' ' ' ILE . 2.6 p -61.16 142.71 56.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.066 0.46 . . . . 0.0 111.013 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 73.05 43.38 0.4 Allowed 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.751 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 76.84 -25.33 0.2 Allowed 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 164.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.861 HG12 ' HB ' ' A' ' 4' ' ' ILE . 7.6 p -62.72 131.34 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.144 0.497 . . . . 0.0 111.099 -178.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.459 ' HB3' ' HE2' ' A' ' 1' ' ' MET . 10.6 m -118.29 155.29 30.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.348 -175.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 57.0 mt -130.18 154.36 40.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.521 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.49 162.3 25.92 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.147 0.499 . . . . 0.0 111.219 -177.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -79.06 -41.84 27.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.889 -174.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -85.69 14.97 5.08 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -170.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -94.94 -2.25 50.89 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 120.947 0.404 . . . . 0.0 111.115 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.835 HD12 HD13 ' A' ' 2' ' ' ILE . 92.6 mt -79.89 140.76 36.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.737 177.547 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -105.89 112.93 26.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 175.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -105.55 127.79 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.039 0.447 . . . . 0.0 110.974 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 p -125.07 149.14 48.11 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.345 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.33 125.96 46.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.502 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.516 ' HB ' ' HB2' ' A' ' 36' ' ' ALA . 60.9 mt -71.48 143.89 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.108 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -51.41 106.14 0.13 Allowed 'General case' 0 CA--C 1.53 0.176 0 O-C-N 123.633 0.583 . . . . 0.0 111.859 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.92 -49.93 4.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.386 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.54 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 52.9 tt0 -82.5 103.07 11.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.787 -177.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.22 154.26 20.73 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.692 178.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.47 153.21 40.9 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.808 0.337 . . . . 0.0 111.146 -177.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.45 -64.21 0.58 Allowed Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.788 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.56 170.33 42.99 Favored Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 61.41 -173.56 0.14 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.43 0.634 . . . . 0.0 111.416 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -112.78 102.02 10.07 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 174.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.1 p -111.45 -14.65 10.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.881 -171.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.54 ' OD1' ' HA ' ' A' ' 23' ' ' GLN . 42.0 m-80 -73.77 64.15 0.92 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.544 -178.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -103.15 -16.43 15.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.402 175.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.1 m -108.57 126.21 52.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.941 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.7 m -147.79 149.28 32.06 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.1 m 56.87 44.89 22.45 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 123.644 0.59 . . . . 0.0 112.281 177.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.516 ' HB2' ' HB ' ' A' ' 20' ' ' ILE . . . -90.33 127.8 36.27 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.545 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 50.0 mm -97.49 124.99 50.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.284 0.564 . . . . 0.0 111.02 -174.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -118.73 115.76 25.16 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.437 178.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.57 HD22 ' HB ' ' A' ' 72' ' ' ILE . 2.6 pt? -132.79 150.28 52.18 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 32.6 ptt180 -130.79 137.4 49.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.154 0.502 . . . . 0.0 110.95 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -108.79 109.97 21.23 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 174.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -113.62 153.66 28.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.947 0.403 . . . . 0.0 111.302 -172.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.507 HG22 ' HE3' ' A' ' 53' ' ' LYS . 63.1 mt -64.63 -44.33 96.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.3 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -65.15 -19.04 65.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.915 -176.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.75 -18.13 62.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.657 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t 66.3 179.34 0.21 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.681 0.753 . . . . 0.0 111.268 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.72 -48.05 0.98 Allowed Glycine 0 C--N 1.316 -0.577 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.732 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 94.4 mt -73.53 143.3 82.16 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.712 0.291 . . . . 0.0 110.947 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 17.8 Cg_exo -69.39 153.04 71.2 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.781 2.321 . . . . 0.0 111.49 174.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.525 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 44.5 mt-10 -57.83 -39.0 76.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.046 -174.307 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -55.83 -51.12 68.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.89 0.376 . . . . 0.0 111.225 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.442 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 85.9 m-85 -71.29 -34.3 70.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.305 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.507 ' HE3' HG22 ' A' ' 43' ' ' ILE . 83.3 tttt -55.17 -42.57 73.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.125 175.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 32.5 mm-40 -67.24 -40.31 86.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.227 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -68.14 -31.39 70.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.106 -175.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 52' ' ' TYR . 96.7 mt -63.34 -33.03 74.64 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.107 0.479 . . . . 0.0 110.759 177.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.0 mt -79.72 -17.46 53.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.838 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.8 m -84.18 -44.81 13.59 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.406 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.37 106.85 18.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.546 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.5 m -75.27 63.8 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.233 0.54 . . . . 0.0 110.635 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -81.4 142.78 32.67 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -63.49 -28.48 69.98 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -170.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.435 HD22 ' CG2' ' A' ' 94' ' ' VAL . 6.9 mp -72.13 -3.47 23.43 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.763 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.432 HD13 HG13 ' A' ' 70' ' ' ILE . 43.2 mm -76.56 126.58 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 167.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.526 ' CB ' HD12 ' A' ' 71' ' ' ILE . 19.0 t -74.23 -46.89 38.83 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.557 -167.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -155.01 -75.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.338 -176.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -91.54 -83.48 0.28 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.833 0.349 . . . . 0.0 111.086 -178.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -137.95 33.37 2.26 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 121.02 -0.609 . . . . 0.0 111.904 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.462 HG13 ' HB3' ' A' ' 65' ' ' SER . 8.1 p -116.29 142.8 28.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 -178.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 4.4 mp -105.44 122.6 58.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.526 HD12 ' CB ' ' A' ' 65' ' ' SER . 1.6 mp -113.23 123.82 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.57 ' HB ' HD22 ' A' ' 39' ' ' LEU . 4.8 mp -111.75 134.15 55.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.898 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -106.02 119.31 38.86 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.541 0.686 . . . . 0.0 110.654 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.61 ' HB1' ' HB3' ' A' ' 87' ' ' ALA . . . -114.09 123.57 49.98 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.938 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -154.79 104.53 2.52 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.388 0.614 . . . . 0.0 110.92 -174.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.33 -73.45 0.67 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 170.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -174.16 -48.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.226 172.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.682 ' HG2' ' H ' ' A' ' 79' ' ' SER . 23.2 ttp180 -146.58 177.98 8.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.969 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.682 ' H ' ' HG2' ' A' ' 78' ' ' ARG . 19.3 m 65.79 85.92 0.14 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.57 0.7 . . . . 0.0 110.384 -177.153 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -62.73 -30.15 71.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.841 -172.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.71 -52.81 63.54 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.95 -32.0 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.18 -176.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -60.77 -45.08 95.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.781 174.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -65.21 -44.24 88.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.852 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -56.19 -41.42 75.51 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.58 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.57 -33.64 73.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.771 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.61 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . . . -67.06 -46.19 75.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.458 177.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.626 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 77.9 mt -63.17 -48.7 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.277 177.398 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.89 -32.45 69.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.128 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.505 ' O ' HG23 ' A' ' 94' ' ' VAL . 23.1 tpt180 -66.21 -49.78 66.1 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.817 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.8 pp -66.54 -36.23 82.18 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.496 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 88' ' ' ILE . 88.3 t -61.51 -42.91 95.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.427 176.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.96 91.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 177.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 90' ' ' ARG . 63.3 t -63.58 -49.22 83.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.458 177.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 91' ' ' LEU . 83.1 mt -59.35 -45.49 93.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.761 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.471 ' O ' ' HB1' ' A' ' 100' ' ' ALA . 98.2 mttt -65.04 -24.27 67.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.548 0.213 . . . . 0.0 111.503 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -77.14 -43.72 32.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.784 0.326 . . . . 0.0 111.308 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.0 mp -75.97 -33.01 59.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.674 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 81.1 p -99.84 8.72 43.96 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.603 -176.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.471 ' HB1' ' O ' ' A' ' 96' ' ' LYS . . . -62.88 143.07 57.98 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.399 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -72.53 93.27 1.56 Allowed 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.601 176.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -154.83 169.17 24.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.506 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -51.6 -38.69 55.69 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -170.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.7 m 66.18 -68.07 0.14 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.383 0.673 . . . . 0.0 111.941 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -131.01 -48.84 1.02 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.428 ' HD3' ' C ' ' A' ' 106' ' ' ARG . 0.4 OUTLIER 65.26 90.68 0.09 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.982 0.801 . . . . 0.0 109.794 -175.279 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -154.29 17.41 0.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.933 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.7 t -169.13 170.75 8.55 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.485 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 5.5 ptm180 -69.9 136.04 87.54 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.782 0.325 . . . . 0.0 110.673 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 109' ' ' ARG . 4.7 Cg_exo -74.16 171.58 17.71 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.037 2.492 . . . . 0.0 112.857 -179.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.6 m -98.99 154.37 18.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.667 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -72.28 71.87 0.91 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.954 0.407 . . . . 0.0 111.13 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -162.14 113.13 1.6 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.392 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 36.7 m -151.94 104.32 2.99 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -139.04 44.19 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.652 0.263 . . . . 0.0 111.276 -178.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.05 139.55 58.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.174 175.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -138.94 117.39 12.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.383 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -135.73 129.38 32.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.758 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.6 mt -123.43 74.37 1.24 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.293 175.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.7 m -85.88 76.73 9.83 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.5 m -109.98 96.08 6.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.081 0.467 . . . . 0.0 111.265 -176.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -151.04 107.44 3.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.882 177.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -132.61 79.85 1.87 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.162 0.506 . . . . 0.0 110.771 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -114.21 126.74 55.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.195 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -152.28 148.09 27.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.113 0.483 . . . . 0.0 111.058 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.9 m -152.96 96.82 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.612 175.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.8 m -136.22 106.44 6.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 -176.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.0 p -140.77 130.36 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.082 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -156.82 128.19 6.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.6 176.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -154.24 137.29 15.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.847 0.356 . . . . 0.0 111.166 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.0 pp -145.44 146.53 31.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.083 177.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.486 ' HD2' ' C ' ' A' ' 132' ' ' ARG . 1.6 ppt_? -149.7 173.5 13.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.876 -177.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.417 ' C ' ' HD2' ' A' ' 134' ' ' LYS . . . 136.72 143.0 4.53 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.274 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 133' ' ' GLY . 4.4 mptp? -126.08 132.9 51.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.794 0.297 . . . . 0.0 111.082 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.5 p -156.11 130.37 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -116.19 118.82 33.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.9 0.381 . . . . 0.0 110.894 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -100.64 109.33 57.18 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.115 175.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -86.35 163.26 9.75 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 123.083 2.522 . . . . 0.0 112.724 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -165.73 142.7 5.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.509 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -135.66 172.17 13.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 35.9 tp -157.1 118.94 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.777 0.322 . . . . 0.0 111.57 -173.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -130.46 99.77 5.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.206 0.527 . . . . 0.0 110.742 171.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -121.84 144.7 48.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.136 174.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -149.47 132.48 16.22 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.486 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -163.91 120.17 1.66 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.477 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -92.19 131.48 37.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.021 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -120.81 139.38 53.21 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.84 176.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.109 178.149 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 tpt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.553 HD13 HD21 ' A' ' 15' ' ' LEU . 3.7 mp -117.24 123.94 72.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.951 0.405 . . . . 0.0 110.958 -175.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.21 95.38 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.801 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.615 HG13 HD13 ' A' ' 10' ' ' ILE . 35.1 mm -79.34 156.9 4.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.463 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.5 m -86.17 164.08 17.44 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.349 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.418 ' HG3' ' HB3' ' A' ' 51' ' ' TYR . 0.0 OUTLIER 67.07 71.2 0.37 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.039 -179.72 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 6' ' ' ARG . 1.1 m 75.72 -44.52 0.51 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 164.394 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.483 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 8.7 p -105.76 154.46 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 122.019 -0.426 . . . . 0.0 111.646 -171.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.4 m -135.21 156.35 49.13 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 171.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.615 HD13 HG13 ' A' ' 4' ' ' ILE . 1.4 mp -100.23 140.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.835 0.35 . . . . 0.0 110.424 -177.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.25 -175.07 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.815 -173.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -95.44 -55.41 3.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.803 -173.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -79.34 -14.6 58.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.274 0.559 . . . . 0.0 111.14 -173.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -83.15 9.8 9.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.86 -176.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.553 HD21 HD13 ' A' ' 2' ' ' ILE . 84.5 mt -78.01 150.53 33.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 111.923 -177.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -95.96 119.42 34.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.175 176.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.2 mm -128.03 120.56 53.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.012 0.434 . . . . 0.0 110.649 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.579 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -121.34 149.88 42.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.983 178.775 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.66 122.17 46.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.52 HD11 ' HB2' ' A' ' 38' ' ' HIS . 53.2 mt -96.61 121.23 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.311 0.577 . . . . 0.0 112.379 -173.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 115.036 -0.984 . . . . 0.0 108.387 168.506 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.633 0.254 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.7 mm -99.06 124.57 52.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.579 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 55.4 t-80 -112.1 121.78 45.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.02 -177.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.428 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.0 pt? -132.32 148.31 52.43 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -133.35 140.34 47.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.17 0.51 . . . . 0.0 110.859 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.509 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 60.2 t80 -107.74 102.74 11.94 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.873 175.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.475 ' HA ' HG23 ' A' ' 69' ' ' VAL . 12.7 t0 -106.53 136.49 46.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.235 0.54 . . . . 0.0 111.466 -173.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.436 HG12 HD12 ' A' ' 48' ' ' LEU . 43.5 mt -67.83 -44.8 85.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.466 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 -66.27 -22.3 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.256 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.6 -13.39 59.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.2 m -128.92 -162.89 1.23 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -176.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.9 71.0 0.5 Allowed Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.485 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 85.2 mt -69.59 145.1 94.81 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -173.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 15.8 Cg_exo -68.79 168.55 19.89 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.338 2.692 . . . . 0.0 112.916 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 1.028 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -60.31 -48.01 83.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.201 -174.615 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.418 ' HB3' ' HG3' ' A' ' 6' ' ' ARG . 44.5 t80 -65.1 -41.4 94.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.987 0.423 . . . . 0.0 110.882 -177.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.443 ' HE2' ' HE2' ' A' ' 41' ' ' PHE . 37.2 t80 -65.84 -47.44 74.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.152 -175.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 1.028 ' HE2' ' HA ' ' A' ' 50' ' ' GLU . 61.4 pttt -65.02 -34.22 77.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.7 0.286 . . . . 0.0 111.113 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -63.57 -41.2 98.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.61 0.243 . . . . 0.0 110.711 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HD3' ' O ' ' A' ' 98' ' ' LEU . 3.3 mmp_? -59.08 -45.89 89.68 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.379 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.432 HD22 HD11 ' A' ' 70' ' ' ILE . 86.2 mt -62.83 -31.76 72.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.106 -174.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 57' ' ' LEU . 4.4 mm? -91.27 -13.51 32.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.651 -177.436 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.2 p -99.31 -34.34 10.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.752 0.311 . . . . 0.0 111.525 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.432 ' HB1' HD12 ' A' ' 98' ' ' LEU . . . -83.35 90.09 7.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.23 0.538 . . . . 0.0 111.246 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.6 m -69.3 102.16 1.67 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.992 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.31 150.48 51.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.384 175.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -64.17 -26.66 68.62 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.641 0.258 . . . . 0.0 111.681 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.16 -23.86 66.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.726 0.298 . . . . 0.0 111.43 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.495 HD13 HG13 ' A' ' 70' ' ' ILE . 35.8 mm -79.03 127.53 38.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.506 ' OG ' HD13 ' A' ' 71' ' ' ILE . 34.5 m -74.13 -54.47 7.72 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.766 -175.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t70 177.46 -48.62 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.688 0.618 . . . . 0.0 109.563 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -81.13 19.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.793 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.06 7.53 88.4 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.178 -177.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.475 HG23 ' HA ' ' A' ' 42' ' ' ASP . 6.7 p -89.41 142.95 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.509 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 4.0 mp -101.41 120.7 51.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.426 -176.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.506 HD13 ' OG ' ' A' ' 65' ' ' SER . 1.6 mp -112.06 123.55 67.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 0.0 109.943 177.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 45.0 mm -107.0 121.11 59.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.155 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -118.8 109.54 16.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.562 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.64 129.49 49.71 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.054 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -156.87 103.93 2.09 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.45 0.643 . . . . 0.0 110.533 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -124.12 -60.4 1.43 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.245 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -138.01 173.1 11.99 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.42 ' HB3' ' H ' ' A' ' 79' ' ' SER . 64.3 mtp180 -71.19 -164.01 0.1 Allowed 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.137 0.273 . . . . 0.0 110.84 174.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.42 ' H ' ' HB3' ' A' ' 78' ' ' ARG . 19.6 m 71.53 89.29 0.1 Allowed 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.79 0.681 . . . . 0.0 109.529 -173.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.96 -31.83 63.32 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.031 -177.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -51.08 -48.84 61.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.503 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.83 -38.65 64.47 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.979 -176.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -59.45 -45.01 92.8 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.0 mtm105 -65.57 -56.38 12.59 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.118 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -53.42 -45.78 69.53 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.0 -43.86 86.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.625 0.25 . . . . 0.0 111.021 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.64 87.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.269 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.532 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.4 mt -62.28 -51.89 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.786 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.82 -41.65 70.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 111.426 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.443 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 28.0 mmt180 -68.17 -46.06 71.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.744 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 4.1 pp -67.19 -38.39 85.28 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.775 -176.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.493 HG22 HG23 ' A' ' 2' ' ' ILE . 80.6 t -61.13 -44.39 98.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 120.92 0.391 . . . . 0.0 110.344 177.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.604 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -60.52 -48.52 81.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.518 177.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.2 -47.07 88.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 O-C-N 123.363 0.414 . . . . 0.0 110.995 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.3 mt -52.8 -49.44 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.578 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -62.95 -35.18 79.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.742 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.604 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 6.9 mm-40 -71.57 -39.03 70.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -177.078 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.466 ' O ' ' HD3' ' A' ' 55' ' ' ARG . 3.8 mm? -87.16 -23.64 24.75 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -178.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.9 m -76.77 -14.8 59.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.668 0.747 . . . . 0.0 109.195 172.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.082 172.722 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.45 -0.437 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.4 p -99.94 97.82 8.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.163 0.506 . . . . 0.0 110.886 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 29.9 m -131.5 6.05 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.769 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.686 ' HE3' HD23 ' A' ' 131' ' ' LEU . 6.5 tmtm? -94.89 107.61 19.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.045 -177.306 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -131.01 147.58 52.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.686 HD23 ' HE3' ' A' ' 129' ' ' LYS . 2.5 pp -148.54 165.35 31.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.869 0.366 . . . . 0.0 111.558 -175.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -142.68 -175.39 4.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.574 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 143.42 88.25 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.792 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -135.43 97.91 3.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.006 0.432 . . . . 0.0 110.364 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.6 p -137.32 134.82 47.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.049 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -96.78 112.24 24.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.174 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 137' ' ' ARG . 5.8 tpp180 -141.46 90.23 9.03 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.681 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -91.09 124.86 0.93 Allowed 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 123.005 2.47 . . . . 0.0 112.948 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.67 96.17 6.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.721 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -101.08 141.7 33.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.921 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 1.2 pt? -145.56 95.24 2.62 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.343 0.592 . . . . 0.0 109.947 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -109.54 176.43 5.08 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.888 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -133.46 138.82 46.35 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.993 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -141.52 120.74 13.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.861 0.362 . . . . 0.0 110.948 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.617 174.944 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.738 0.304 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 4.2 mp -104.89 129.97 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.204 -178.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.82 117.33 29.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.379 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 5' ' ' SER . 23.0 mm -106.71 166.2 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.442 ' N ' HG22 ' A' ' 4' ' ' ILE . 58.0 m -56.79 160.37 3.45 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -176.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.476 ' HG2' ' OH ' ' A' ' 52' ' ' TYR . 27.3 mmm180 66.97 -88.54 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.873 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.3 p -146.72 1.99 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.727 0.299 . . . . 0.0 111.117 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.42 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 55.8 t -78.65 122.88 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.839 0.352 . . . . 0.0 110.594 -172.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.0 m -123.03 149.87 43.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.084 0.468 . . . . 0.0 110.151 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 64.2 mt -115.91 129.62 71.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.542 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -60.47 148.38 37.8 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -62.13 -24.85 67.4 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.353 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -114.87 10.59 16.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.218 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.542 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 7.1 mt-10 -73.01 -23.76 60.66 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.9 mt -85.75 122.21 29.51 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.555 171.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -75.51 115.07 14.79 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.202 0.525 . . . . 0.0 111.361 -176.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.5 mm -86.5 118.55 33.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.084 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.412 ' O ' ' HB3' ' A' ' 38' ' ' HIS . 0.3 OUTLIER -122.84 150.24 43.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.003 -176.323 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.47 145.07 25.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.516 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.62 ' CG1' ' HB2' ' A' ' 38' ' ' HIS . 40.1 mt -97.05 126.73 49.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.859 0.362 . . . . 0.0 110.592 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.007 -176.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.581 ' HB3' HD12 ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.444 -0.745 0 CA-C-O 121.142 0.496 . . . . 0.0 111.392 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.7 mm -100.22 133.69 42.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.678 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.62 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 57.9 t-80 -124.25 121.83 36.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.043 0.449 . . . . 0.0 110.535 -178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 39' ' ' LEU . 1.8 pt? -133.0 149.3 52.23 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 174.166 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 36.1 ptt180 -133.57 132.93 41.44 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.955 0.407 . . . . 0.0 111.126 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -113.03 118.4 34.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.123 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.441 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 9.7 t0 -105.65 134.38 48.87 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.635 174.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.1 mp -55.45 -43.08 70.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.741 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.441 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 56.4 mtt180 -64.28 -15.77 60.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.247 -177.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.53 -23.23 60.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.058 0.456 . . . . 0.0 110.461 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.2 t -122.38 -162.12 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.521 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.23 67.71 0.56 Allowed Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.9 mt -76.32 144.09 74.03 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.764 0.316 . . . . 0.0 111.665 -176.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -68.46 161.35 45.34 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.0 2.466 . . . . 0.0 112.037 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.509 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 70.8 mm-40 -62.23 -31.64 72.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.096 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -52.89 -51.0 62.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.516 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.476 ' OH ' ' HG2' ' A' ' 6' ' ' ARG . 85.9 m-85 -81.06 -34.41 32.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.636 -178.146 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 0.7 OUTLIER -57.03 -43.7 82.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.828 178.656 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -70.91 -35.41 72.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.336 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.558 ' HD2' ' O ' ' A' ' 98' ' ' LEU . 29.2 mmt180 -60.99 -44.53 97.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.677 0.275 . . . . 0.0 111.471 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 52' ' ' TYR . 86.7 mt -69.15 -41.54 77.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.774 -176.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.9 mt -79.4 -16.43 56.22 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.5 p -90.86 -34.92 15.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.071 0.462 . . . . 0.0 111.719 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.17 99.05 6.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.241 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.2 m -57.33 120.63 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.238 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -140.6 152.06 45.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.63 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -81.45 -12.45 58.89 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 174.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.613 ' HB3' HG23 ' A' ' 70' ' ' ILE . 8.6 mp -59.47 -37.37 78.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.189 -1.369 . . . . 0.0 109.156 169.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.564 HD13 HG12 ' A' ' 70' ' ' ILE . 29.9 mm -78.8 124.28 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 174.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.458 ' OG ' HD13 ' A' ' 71' ' ' ILE . 16.8 m -97.16 -83.57 0.39 Allowed 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.54 -175.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -141.08 -52.84 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.722 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -74.64 14.27 0.51 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.246 -0.434 . . . . 0.0 112.07 -174.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.82 26.13 72.11 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.372 -173.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.7 p -105.57 144.15 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.188 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.613 HG23 ' HB3' ' A' ' 63' ' ' LEU . 51.1 mt -99.64 118.13 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.626 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.458 HD13 ' OG ' ' A' ' 65' ' ' SER . 1.7 mp -96.3 122.62 47.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.942 0.401 . . . . 0.0 110.33 177.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.0 mm -108.34 122.75 63.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.872 177.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -120.25 116.84 26.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.369 -178.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -135.98 142.1 44.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.998 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.537 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 18.2 pt20 -166.45 104.8 0.62 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.909 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -126.39 -68.66 0.8 Allowed 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.842 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.416 ' HB2' HD21 ' A' ' 82' ' ' LEU . 44.9 m-85 -102.62 14.57 31.62 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -174.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.9 ttp85 69.04 -43.25 0.51 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.6 0.563 . . . . 0.0 112.139 -177.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.1 m -46.1 114.25 0.76 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.338 0.59 . . . . 0.0 111.634 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -39.71 78.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.734 -174.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.79 -54.82 42.75 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -175.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 77' ' ' PHE . 4.0 pp -73.48 -36.3 65.79 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.464 -174.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -63.68 -32.98 74.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.6 mtp-105 -64.98 -57.48 8.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.397 0.618 . . . . 0.0 110.663 173.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.74 -32.55 73.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.974 -173.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.543 ' O ' ' HG2' ' A' ' 90' ' ' ARG . . . -68.74 -43.14 76.52 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.215 -0.194 . . . . 0.0 110.531 175.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.81 -43.63 90.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.819 0.343 . . . . 0.0 110.589 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.656 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 77.5 mt -61.87 -48.72 87.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.463 177.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.12 77.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.224 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 86' ' ' ALA . 26.1 mmm180 -60.67 -42.52 97.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.905 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.5 pp -74.33 -36.47 63.68 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.248 -179.247 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.624 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 92.3 t -62.33 -41.71 92.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.225 176.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.99 85.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.932 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 83.2 t -60.42 -44.84 97.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.309 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 64.1 mt -53.57 -47.82 59.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.815 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 26.0 mtpp -70.35 -23.58 62.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.358 -175.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -75.13 -47.64 27.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.118 0.485 . . . . 0.0 110.537 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.558 ' O ' ' HD2' ' A' ' 55' ' ' ARG . 9.9 mp -68.69 -30.31 68.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.878 -177.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.0 p -80.59 -3.03 48.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.86 0.362 . . . . 0.0 111.774 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.182 178.302 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 62.1 m . . . . . 0 N--CA 1.45 -0.443 0 CA-C-O 120.944 0.402 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.5 p -141.26 149.42 41.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.372 -177.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 30.9 m -104.1 -176.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.866 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -144.37 168.86 19.08 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.521 -0.178 . . . . 0.0 110.521 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.43 156.96 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.714 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 131' ' ' LEU . 1.2 tm? -118.85 -60.62 1.74 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.851 0.358 . . . . 0.0 110.531 -175.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -103.8 177.38 4.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.841 -175.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -107.84 -119.72 4.41 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -150.86 175.93 11.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.716 0.293 . . . . 0.0 110.56 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.43 134.26 49.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.107 0.479 . . . . 0.0 110.906 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -104.41 143.67 32.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.669 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.606 ' HA ' ' HE ' ' A' ' 137' ' ' ARG . 1.3 mmp_? -128.34 88.59 52.15 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.786 0.327 . . . . 0.0 110.291 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -81.12 110.13 2.25 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 123.125 2.55 . . . . 0.0 112.706 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 91.0 mt -103.42 156.77 17.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.976 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -145.0 144.83 31.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 111.363 -176.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 6.0 tt -127.55 123.02 34.82 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.09 137.45 43.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.343 0.592 . . . . 0.0 112.293 -172.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -113.9 140.73 48.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.42 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -140.97 137.71 33.25 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 . . . . . 0 C--N 1.324 -0.534 0 CA-C-O 120.98 0.419 . . . . 0.0 109.887 178.493 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.836 HD11 HD11 ' A' ' 15' ' ' LEU . 48.9 mm -98.34 120.56 47.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.524 0.202 . . . . 0.0 110.488 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.12 118.35 32.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.635 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 33.4 mm -109.46 165.34 5.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.457 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.461 ' N ' HG22 ' A' ' 4' ' ' ILE . 2.9 p -63.29 169.84 3.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.981 0.42 . . . . 0.0 112.121 -178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 69.09 -83.63 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.498 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -164.32 20.11 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.11 0.481 . . . . 0.0 110.64 -176.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.635 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 39.6 t -95.8 127.69 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.776 -176.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 m -140.61 147.44 39.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.932 0.396 . . . . 0.0 110.42 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.549 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 4.8 mp -129.43 139.4 51.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.542 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.22 142.3 58.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.915 0.388 . . . . 0.0 110.543 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.03 -24.11 67.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.844 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -76.61 -7.01 54.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.235 -176.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.55 -11.33 56.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.668 0.271 . . . . 0.0 111.341 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.836 HD11 HD11 ' A' ' 2' ' ' ILE . 91.8 mt -85.22 136.24 33.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.908 0.385 . . . . 0.0 111.763 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.475 ' OE1' ' HD2' ' A' ' 40' ' ' ARG . 34.3 mt-10 -86.59 95.33 9.72 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.85 173.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.8 mm -95.61 113.49 30.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.555 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 p -117.9 145.43 44.65 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.108 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.95 130.63 34.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.917 0.389 . . . . 0.0 110.986 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.733 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 60.8 mt -81.75 126.22 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.43 178.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.521 174.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.733 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.577 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 47.4 mm -100.96 117.89 46.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.234 0.54 . . . . 0.0 111.688 -172.04 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.624 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 47.6 t-80 -113.68 108.02 16.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.405 174.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.57 HD21 ' HB1' ' A' ' 87' ' ' ALA . 2.4 pt? -129.06 148.94 51.06 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.055 0.455 . . . . 0.0 110.402 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.475 ' HD2' ' OE1' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -123.95 121.37 35.12 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.506 178.766 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.479 ' HE2' ' HG ' ' A' ' 48' ' ' LEU . 37.1 t80 -99.12 102.55 14.26 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 175.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.546 ' HA ' HG23 ' A' ' 69' ' ' VAL . 25.8 t70 -95.27 140.34 30.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.456 0.646 . . . . 0.0 111.384 -174.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.3 mp -91.4 -39.55 11.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.07 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -36.84 64.64 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.457 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.76 -3.74 13.42 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.632 0.373 . . . . 0.0 111.833 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.8 t 67.23 119.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.258 1.028 . . . . 0.0 111.64 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -157.01 -66.88 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.835 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.115 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HG ' ' HE2' ' A' ' 41' ' ' PHE . 89.2 mt -75.72 145.82 79.02 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 173.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.56 151.25 39.23 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.383 2.055 . . . . 0.0 110.958 172.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.907 ' HG3' ' HD2' ' A' ' 53' ' ' LYS . 22.4 tt0 -65.5 -20.52 66.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.807 0.337 . . . . 0.0 111.554 -171.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -68.62 -26.36 65.31 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.295 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -82.11 -34.95 29.02 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 171.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.907 ' HD2' ' HG3' ' A' ' 50' ' ' GLU . 1.0 OUTLIER -59.4 -40.69 87.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.033 177.738 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 14.0 mm100 -60.82 -44.08 97.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.818 177.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -56.12 -49.04 75.02 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.806 HD23 HD22 ' A' ' 98' ' ' LEU . 80.4 mt -65.45 -28.59 69.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.764 -175.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.9 mt -85.82 -22.52 27.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.501 -178.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.4 p -84.15 -33.89 24.16 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.54 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.8 101.19 9.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.755 0.312 . . . . 0.0 111.438 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.4 m -68.83 99.09 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.41 ' HD2' HG13 ' A' ' 94' ' ' VAL . 13.7 t60 -99.66 27.9 5.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.33 -170.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 72.18 -56.61 0.64 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.67 0.788 . . . . 0.0 110.986 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.4 -19.71 65.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.751 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.1 mm -82.44 124.46 39.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 173.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.9 m -57.28 -66.13 0.51 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.193 0.308 . . . . 0.0 110.882 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 177.87 -53.39 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.576 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -81.22 -25.36 36.75 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -174.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.53 52.08 0.07 OUTLIER Glycine 0 C--O 1.228 -0.279 0 C-N-CA 119.974 -1.108 . . . . 0.0 113.778 175.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.546 HG23 ' HA ' ' A' ' 42' ' ' ASP . 12.8 p -138.42 144.11 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 173.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.1 mt -115.55 117.2 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.703 0.287 . . . . 0.0 110.444 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.2 mp -104.97 123.28 58.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.543 ' HB ' HD21 ' A' ' 39' ' ' LEU . 4.2 mp -98.87 129.47 49.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -109.38 99.72 8.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.046 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.577 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -107.33 124.34 49.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.21 0.529 . . . . 0.0 111.035 -177.021 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -157.68 107.53 2.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.724 178.12 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -145.38 -76.95 0.21 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.469 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.403 ' HB3' HD21 ' A' ' 82' ' ' LEU . 16.4 t80 -114.51 173.82 6.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.595 -172.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 78' ' ' ARG . 2.9 ptm180 -77.04 -3.7 40.46 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.639 -176.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.478 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 50.0 m -97.09 111.48 23.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.969 0.414 . . . . 0.0 110.573 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -62.72 -32.98 74.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.1 -178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -56.77 -53.95 51.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.271 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.478 ' CD2' ' HB2' ' A' ' 79' ' ' SER . 4.1 pp -65.88 -35.34 80.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.034 0.445 . . . . 0.0 110.495 -177.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.28 -38.56 91.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.673 176.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.3 mtp85 -65.48 -50.12 66.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -59.2 -45.25 91.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.337 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 90' ' ' ARG . . . -66.38 -28.8 68.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 178.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.57 ' HB1' HD21 ' A' ' 39' ' ' LEU . . . -70.62 -46.66 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.928 0.394 . . . . 0.0 110.621 177.209 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.606 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 79.3 mt -65.01 -48.54 83.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.532 177.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.89 -25.45 68.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.017 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.531 ' HB2' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -65.72 -49.13 69.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.332 177.725 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.3 pp -69.73 -35.48 75.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.497 -176.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 88' ' ' ILE . 85.9 t -62.33 -39.69 85.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.29 177.062 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -63.22 -44.25 95.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.387 177.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.41 HG13 ' HD2' ' A' ' 61' ' ' HIS . 71.2 t -58.07 -43.77 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 178.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 91' ' ' LEU . 82.9 mt -57.41 -42.73 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.065 0.459 . . . . 0.0 110.402 177.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -71.42 -31.73 67.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.556 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 93' ' ' ALA . 57.3 mt-10 -68.54 -28.27 66.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.608 0.242 . . . . 0.0 111.566 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.806 HD22 HD23 ' A' ' 56' ' ' LEU . 10.7 mp -93.39 -30.96 14.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.046 179.247 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.2 p -77.42 -44.95 27.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.228 -0.295 . . . . 0.0 110.724 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.714 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 173.139 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.2 p . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 121.069 0.462 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.2 m -119.37 105.09 10.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.388 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.27 133.94 55.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.746 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -165.54 118.78 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.162 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.15 109.36 8.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.924 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -111.09 171.39 7.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.992 0.425 . . . . 0.0 110.717 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -149.96 148.61 29.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.039 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -123.08 179.76 16.03 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.819 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -120.48 143.93 48.27 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.2 p -108.66 142.58 20.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.283 0.563 . . . . 0.0 111.688 -174.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -133.01 134.14 44.05 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 171.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -128.85 129.76 23.46 Favored Pre-proline 0 C--N 1.321 -0.667 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.668 -175.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -87.18 166.25 8.17 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 123.18 2.587 . . . . 0.0 112.611 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 57.9 tp -147.93 113.76 5.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.956 177.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -101.93 132.3 47.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.392 0.615 . . . . 0.0 110.778 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 7.2 mp -106.7 6.4 29.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.586 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -66.8 118.82 10.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.522 -173.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -129.63 159.01 37.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.996 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -115.63 170.12 8.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.617 0.246 . . . . 0.0 110.384 -172.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 30.0 t60 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.196 -178.913 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.447 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.4 mp -84.99 116.08 27.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 120.94 0.4 . . . . 0.0 110.248 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.46 125.4 46.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.556 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 5' ' ' SER . 31.5 mm -109.31 165.2 5.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.442 ' N ' HG22 ' A' ' 4' ' ' ILE . 14.9 m -60.16 160.92 7.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 173.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 5' ' ' SER . 4.1 mpt_? 65.03 -164.35 0.25 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -175.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -88.77 37.94 0.86 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.887 0.851 . . . . 0.0 110.582 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.9 t -103.69 130.85 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.17 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -142.33 153.71 44.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.413 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 66.0 mt -133.48 133.87 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.656 -175.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.538 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -72.28 151.69 42.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.9 0.381 . . . . 0.0 110.52 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -75.26 -20.54 59.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -173.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -81.88 -5.22 58.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 0.0 110.946 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.538 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 23.9 mm-40 -89.02 -2.6 58.65 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.024 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.429 HD11 HD11 ' A' ' 2' ' ' ILE . 91.4 mt -82.83 136.06 34.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.677 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -85.1 102.55 13.34 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 176.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.9 mm -96.0 117.66 40.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.27 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.29 133.74 55.63 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.288 177.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.35 127.74 34.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.466 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 36' ' ' ALA . 53.0 mt -75.03 123.14 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.592 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.586 177.252 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.457 ' HB3' HD12 ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.443 -0.783 0 CA-C-O 120.953 0.406 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.9 mm -99.93 135.72 34.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.799 -173.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.411 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 49.7 t-80 -148.08 133.18 18.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.511 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -139.25 150.45 45.5 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.893 0.378 . . . . 0.0 110.25 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -126.17 123.27 37.87 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.177 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -116.17 109.48 17.51 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.183 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -110.95 158.9 18.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.08 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.0 mp -62.41 -43.3 98.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.264 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -60.23 -30.15 69.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.767 -174.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.36 -27.87 69.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 p -129.81 -175.65 3.67 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.115 0.484 . . . . 0.0 111.353 -175.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.05 65.51 0.25 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.107 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.6 mt -75.24 144.51 78.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.49 156.03 49.24 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.755 2.303 . . . . 0.0 112.258 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 2.2 mp0 -61.08 -41.2 96.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 0.0 110.669 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -66.42 -22.98 66.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.328 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.472 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -79.36 -44.17 22.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.824 173.894 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -52.82 -41.49 64.25 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.75 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 30.8 mm-40 -54.8 -56.72 16.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.661 -177.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -75.52 -24.63 56.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -171.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.587 ' HA ' HD23 ' A' ' 98' ' ' LEU . 91.2 mt -72.07 -41.72 67.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.754 0.311 . . . . 0.0 111.414 -177.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 57' ' ' LEU . 4.1 mm? -82.57 -17.76 43.73 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -174.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.1 p -76.12 -34.42 59.46 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.28 117.04 10.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.328 0.585 . . . . 0.0 111.781 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 m -85.38 88.94 7.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.001 178.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -131.09 136.82 48.74 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -67.79 -5.8 18.12 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -172.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.0 mt -69.83 -26.53 64.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.29 0.567 . . . . 0.0 109.586 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.443 ' CD1' HG12 ' A' ' 70' ' ' ILE . 24.0 mm -85.37 131.43 34.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 174.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.8 m -81.43 -85.35 0.1 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.572 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 68' ' ' GLY . 37.2 t70 -163.93 -38.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.163 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -72.87 20.2 0.08 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 66' ' ' ASP . . . 66.77 38.17 92.87 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.573 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.7 143.8 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 115.592 -0.304 . . . . 0.0 110.232 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.443 HG12 ' CD1' ' A' ' 64' ' ' ILE . 40.6 mt -94.29 119.56 42.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.034 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.5 mp -104.29 118.46 51.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.297 0.57 . . . . 0.0 110.191 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.9 mm -118.7 129.19 75.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.069 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -117.44 152.97 33.91 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 173.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.91 126.55 8.82 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.862 0.363 . . . . 0.0 111.497 -177.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -154.87 102.18 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.76 0.79 . . . . 0.0 110.016 173.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -117.47 -75.16 0.58 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.535 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.675 ' HB3' HD21 ' A' ' 82' ' ' LEU . 20.4 t80 -103.86 172.66 6.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 173.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.429 ' C ' ' HD2' ' A' ' 78' ' ' ARG . 7.5 ppt_? -82.21 -1.68 49.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.713 0.292 . . . . 0.0 111.78 -175.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.504 ' HB2' HD23 ' A' ' 82' ' ' LEU . 20.0 m -84.65 108.57 17.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.917 0.389 . . . . 0.0 110.669 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 81' ' ' GLU . 5.5 pm0 -55.76 -41.52 74.11 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -174.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.405 ' N ' ' HG2' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -58.24 -45.95 86.83 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -175.711 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.675 HD21 ' HB3' ' A' ' 77' ' ' PHE . 3.5 pp -68.99 -34.51 75.42 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.099 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -65.14 -39.59 93.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.169 175.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.3 ttm-85 -57.82 -54.42 47.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.136 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.34 -38.15 79.63 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.986 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.76 94.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.701 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.1 -43.63 94.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.635 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.55 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 89.3 mt -61.26 -49.48 84.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.312 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.58 -40.26 82.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.01 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 94' ' ' VAL . 12.4 mmt180 -61.52 -51.43 68.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.812 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.6 pp -64.72 -39.04 92.97 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.725 -176.388 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.433 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 96.2 t -64.6 -42.49 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.277 177.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.27 -43.37 92.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.858 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.503 ' O ' HD13 ' A' ' 98' ' ' LEU . 93.1 t -62.07 -45.12 99.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.138 176.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 45.9 mt -52.56 -46.77 49.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 176.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' ' 92' ' ' VAL . 9.0 mtpp -64.93 -27.86 69.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.409 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -77.51 -29.49 52.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.173 0.511 . . . . 0.0 110.923 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.587 HD23 ' HA ' ' A' ' 56' ' ' LEU . 10.2 mp -90.58 -43.46 10.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.315 -176.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 55.2 p -89.85 -17.78 27.45 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -170.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.707 -179.433 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.268 0.556 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.7 m -94.08 110.89 22.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.997 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.4 m -135.99 139.04 46.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 120.933 0.397 . . . . 0.0 111.972 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -144.02 126.68 16.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.542 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -98.14 144.08 27.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.515 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -146.57 120.05 9.07 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -116.5 132.4 56.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.52 110.79 0.46 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.277 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -140.04 95.66 2.93 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.9 171.94 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.26 0.552 . . . . 0.0 111.858 -174.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -142.19 118.76 10.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.196 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 137' ' ' ARG . 6.9 tpt180 -120.62 98.69 48.02 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-O 120.928 0.394 . . . . 0.0 110.665 -177.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -92.15 121.07 0.55 Allowed 'Trans proline' 0 N--CA 1.45 -1.078 0 C-N-CA 123.282 2.654 . . . . 0.0 112.297 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.446 ' O ' HD12 ' A' ' 139' ' ' LEU . 3.2 pp -126.33 141.01 52.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.138 175.088 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -113.92 151.81 31.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.105 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 87.7 mt -124.5 126.46 45.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.033 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -93.2 147.34 22.97 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.174 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -155.47 107.72 2.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.343 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -173.67 136.51 0.57 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 177.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 . . . . . 0 C--N 1.325 -0.49 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.76 -176.613 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.467 ' SD ' ' HA ' ' A' ' 11' ' ' ALA . 13.1 tpt . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.438 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.9 mp -107.6 119.21 56.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.987 0.422 . . . . 0.0 110.477 -175.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.83 118.67 33.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.72 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.577 HG13 HD13 ' A' ' 10' ' ' ILE . 41.1 mm -109.4 165.7 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.456 ' N ' HG22 ' A' ' 4' ' ' ILE . 9.5 t -64.3 157.54 25.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.758 ' HG2' ' H ' ' A' ' 7' ' ' THR . 14.6 ttm180 69.94 -176.54 0.2 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -175.028 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.758 ' H ' ' HG2' ' A' ' 6' ' ' ARG . 8.9 t -77.25 13.34 1.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -176.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.452 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 45.8 t -104.4 114.11 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.99 0.424 . . . . 0.0 110.952 -175.292 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.5 m -108.27 150.77 26.85 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 175.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.577 HD13 HG13 ' A' ' 4' ' ' ILE . 1.6 mp -113.09 135.9 51.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.76 0.314 . . . . 0.0 110.262 -175.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.467 ' HA ' ' SD ' ' A' ' 1' ' ' MET . . . -76.37 152.13 36.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.92 -178.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.1 -15.64 62.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.013 0.435 . . . . 0.0 110.93 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -78.42 -11.61 59.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.555 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -78.97 -25.54 43.47 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.018 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -83.03 129.98 35.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.226 -176.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.584 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 68.1 mm-40 -83.34 114.05 21.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.095 174.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mm -99.2 124.52 52.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.499 -174.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.83 149.46 35.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.743 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.68 145.85 24.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 176.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 53.6 mt -97.93 117.7 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.958 0.408 . . . . 0.0 111.157 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.159 174.571 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.55 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.48 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 50.5 mm -99.74 134.59 38.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.252 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.463 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 29.9 t-80 -130.14 136.12 48.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.433 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.584 ' HA ' ' O ' ' A' ' 16' ' ' GLU . 2.5 pt? -142.83 150.07 39.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.248 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.41 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 35.5 mmt180 -118.66 149.68 41.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.224 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -161.91 115.01 1.81 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.818 ' HB3' ' HB ' ' A' ' 69' ' ' VAL . 2.7 p30 -125.5 162.2 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.16 0.505 . . . . 0.0 111.495 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.559 HD11 ' HB2' ' A' ' 56' ' ' LEU . 32.2 mt -58.46 -43.27 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.545 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -60.87 -38.2 84.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.059 -174.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.82 -59.56 5.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.054 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.8 m -90.97 -160.51 0.72 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.849 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.64 64.42 0.55 Allowed Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.639 -0.584 . . . . 0.0 111.639 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 90.3 mt -74.43 147.48 85.08 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 120.541 0.21 . . . . 0.0 111.207 -176.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 24.2 Cg_exo -64.29 146.83 90.71 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.694 2.263 . . . . 0.0 111.729 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.771 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 12.4 pt-20 -62.44 -27.48 69.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.419 -175.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -57.41 -42.14 81.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.036 0.446 . . . . 0.0 110.126 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.424 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 78.7 m-85 -81.42 -36.94 28.88 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.217 177.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.771 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 43.7 tttm -53.65 -50.81 64.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.706 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 11.2 mm100 -63.65 -42.95 98.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.568 0.223 . . . . 0.0 111.053 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -60.34 -37.55 81.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.54 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.629 HD23 ' HG ' ' A' ' 98' ' ' LEU . 97.6 mt -76.02 -35.54 59.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.374 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.3 mt -70.63 -46.63 62.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.655 0.264 . . . . 0.0 111.074 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 m -72.34 -61.92 1.62 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 54.48 179.26 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.1 t -173.08 28.91 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.061 -1.427 . . . . 0.0 107.172 176.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.772 ' HB3' HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -127.59 129.33 47.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.555 -1.202 . . . . 0.0 109.401 -173.678 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -82.12 45.21 0.91 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.937 0.875 . . . . 0.0 111.241 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.772 HD23 ' HB3' ' A' ' 61' ' ' HIS . 2.3 mm? -111.6 -18.01 12.9 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.251 -1.341 . . . . 0.0 109.168 169.25 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.7 mm -82.66 136.46 22.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.023 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . 1.054 ' HB3' HG13 ' A' ' 69' ' ' VAL . 40.6 t -79.04 -46.28 18.45 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.206 -178.053 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' SER . 28.5 t70 175.53 -76.66 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.47 0.481 . . . . 0.0 111.443 174.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -83.6 51.27 1.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.528 0.68 . . . . 0.0 111.014 -170.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.42 26.72 73.73 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.116 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 1.054 HG13 ' HB3' ' A' ' 65' ' ' SER . 3.1 p -113.58 142.69 25.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 55.9 mt -96.24 139.76 18.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.426 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.5 tp -124.21 116.23 47.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.502 0.668 . . . . 0.0 110.149 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.538 ' HB ' HD21 ' A' ' 39' ' ' LEU . 46.8 mm -125.21 139.66 50.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.661 -178.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.48 157.26 22.21 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 171.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.48 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -152.2 123.47 7.69 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.827 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.402 ' O ' ' HG3' ' A' ' 75' ' ' GLN . 27.5 pt20 -166.38 104.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.583 0.706 . . . . 0.0 109.945 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -114.17 -69.24 0.87 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.562 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -111.95 -85.25 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.775 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -166.86 -21.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.93 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.2 m -69.8 110.57 5.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.585 0.231 . . . . 0.0 110.438 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -56.35 -35.86 68.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.704 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -50.72 -53.05 34.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.67 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -43.7 94.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.76 -174.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -71.71 -35.25 70.17 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.511 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -64.61 -50.85 65.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.389 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -53.9 -47.07 71.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.213 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.35 -45.78 92.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.957 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.54 -45.89 84.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 111.162 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.553 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 85.1 mt -63.67 -50.08 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.759 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.61 89.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.656 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 94' ' ' VAL . 99.5 mtt180 -66.85 -39.81 87.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.702 -178.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 2.4 pp -68.43 -37.17 80.03 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.336 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 88' ' ' ILE . 96.4 t -63.17 -42.32 96.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 121.153 0.501 . . . . 0.0 110.0 176.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.07 -38.93 93.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.743 177.186 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.644 HG22 ' HG ' ' A' ' 63' ' ' LEU . 55.9 t -61.42 -44.65 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.067 178.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 91' ' ' LEU . 82.0 mt -57.57 -42.23 80.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.903 0.382 . . . . 0.0 110.624 178.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -70.35 -36.27 74.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.313 0.578 . . . . 0.0 110.487 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.623 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 3.0 mm-40 -58.7 -41.24 85.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.36 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.629 ' HG ' HD23 ' A' ' 56' ' ' LEU . 4.0 mm? -68.64 -26.33 65.28 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -177.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.8 p -89.33 -13.79 37.11 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.808 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 120.749 0.309 . . . . 0.0 110.984 -178.164 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.456 0.17 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.4 m -131.24 130.73 43.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.623 0.249 . . . . 0.0 110.987 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 24.7 m -136.6 148.82 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.461 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -146.91 176.4 9.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.758 178.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -141.62 158.68 43.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.989 0.423 . . . . 0.0 111.421 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -139.54 179.92 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.056 178.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -136.7 158.16 45.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.499 0.19 . . . . 0.0 110.568 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.28 -174.15 28.7 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.473 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -144.6 133.16 22.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.682 0.277 . . . . 0.0 110.284 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.7 m -101.17 168.11 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.034 0.445 . . . . 0.0 111.766 -175.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.417 ' O ' ' HD3' ' A' ' 138' ' ' PRO . 60.5 ttt180 -140.24 148.13 41.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.512 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -107.29 100.46 33.41 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.659 0.266 . . . . 0.0 110.41 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 136' ' ' ARG . 10.0 Cg_endo -91.0 128.61 1.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.26 2.64 . . . . 0.0 112.425 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -144.95 140.12 28.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.297 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -125.39 152.88 44.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -97.89 174.53 6.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.998 0.428 . . . . 0.0 110.938 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -107.16 168.46 9.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.514 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 -143.8 101.15 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.659 0.742 . . . . 0.0 110.23 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -104.74 137.58 42.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.179 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 28.6 p80 . . . . . 0 C--N 1.322 -0.592 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.037 177.567 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttt . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.492 HD11 ' HB3' ' A' ' 12' ' ' ASP . 46.8 mm -94.54 125.02 47.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.659 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.11 101.83 13.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.046 0.451 . . . . 0.0 110.842 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.55 ' HB ' ' O ' ' A' ' 8' ' ' VAL . 34.7 mm -88.83 161.38 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 176.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.459 ' O ' ' HB3' ' A' ' 6' ' ' ARG . 4.1 p -63.29 169.55 3.54 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.66 0.266 . . . . 0.0 111.384 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.472 ' HG2' ' OG1' ' A' ' 7' ' ' THR . 36.8 ttt-85 73.86 -80.79 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.698 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.472 ' OG1' ' HG2' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -169.99 -32.82 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.934 0.397 . . . . 0.0 110.976 -174.896 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.55 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 7.7 p -60.98 132.86 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.998 -175.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -119.45 155.24 32.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.676 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.0 mt -130.12 147.8 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.16 -178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.69 125.2 33.0 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 174.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.495 ' HA ' ' HG ' ' A' ' 15' ' ' LEU . 5.9 p-10 -72.74 -5.62 39.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.241 0.543 . . . . 0.0 111.127 -178.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -75.84 -18.72 59.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.076 176.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -86.4 -9.39 56.42 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.426 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.495 ' HG ' ' HA ' ' A' ' 12' ' ' ASP . 85.0 mt -69.29 135.19 50.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.091 0.472 . . . . 0.0 111.509 -174.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 40' ' ' ARG . 51.2 mt-10 -85.85 94.61 9.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.906 -178.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.4 mm -87.36 123.48 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.56 149.57 24.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.851 0.358 . . . . 0.0 110.834 -173.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.55 108.84 20.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.683 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.501 HD11 ' HB2' ' A' ' 38' ' ' HIS . 36.9 mt -75.72 125.17 35.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.847 -175.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.429 ' HA ' ' HD2' ' A' ' 21' ' ' ARG . 22.1 tpt180 . . . . . 0 C--N 1.323 -0.553 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 175.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.386 0 CA-C-O 120.705 0.288 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.5 mm -111.34 133.2 57.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.803 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.501 ' HB2' HD11 ' A' ' 20' ' ' ILE . 60.4 t-80 -130.47 128.28 40.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.698 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.4 pt? -131.0 150.27 52.23 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.711 0.291 . . . . 0.0 110.254 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.432 ' CG ' HG21 ' A' ' 69' ' ' VAL . 71.0 ttt-85 -122.3 114.9 21.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.127 -178.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.462 ' HZ ' HD21 ' A' ' 48' ' ' LEU . 78.5 t80 -118.13 102.3 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -97.72 145.88 25.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.269 -174.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.685 ' HA ' HD12 ' A' ' 48' ' ' LEU . 51.4 mt -72.39 -47.72 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.033 -178.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -71.65 -35.41 70.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.036 -174.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.19 -29.4 66.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.193 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 t -98.19 176.76 5.62 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.226 0.536 . . . . 0.0 110.174 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.7 53.53 0.71 Allowed Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.505 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.685 HD12 ' HA ' ' A' ' 43' ' ' ILE . 88.1 mt -75.67 145.39 78.51 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.858 0.361 . . . . 0.0 111.2 -176.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 38.5 Cg_exo -61.53 147.85 94.43 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.985 2.457 . . . . 0.0 112.198 177.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.414 ' HA ' ' HE3' ' A' ' 53' ' ' LYS . 36.7 mt-10 -59.25 -37.73 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.879 -177.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -61.45 -39.19 89.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.305 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.443 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 54.3 m-85 -77.18 -36.7 54.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.807 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' A' ' 50' ' ' GLU . 24.6 ttpp -51.54 -57.22 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.509 -178.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -58.81 -43.21 90.55 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.422 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 25.4 mmt180 -62.45 -39.33 93.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.581 HD23 HD22 ' A' ' 98' ' ' LEU . 95.6 mt -63.22 -28.08 69.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.005 0.431 . . . . 0.0 111.123 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.1 mt -91.47 -19.75 22.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.848 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.422 ' OG1' ' HA ' ' A' ' 55' ' ' ARG . 3.9 p -96.01 -43.43 7.79 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -176.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.45 111.95 15.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.046 0.45 . . . . 0.0 110.129 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.3 m -80.52 78.36 7.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.498 0.665 . . . . 0.0 110.785 -174.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.47 131.24 37.06 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -73.62 59.19 0.62 Allowed 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 mp -143.59 -9.6 0.73 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.605 171.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.8 mm -73.16 130.25 35.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.758 ' HB2' ' HB ' ' A' ' 71' ' ' ILE . 34.7 t -82.98 -83.43 0.14 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.351 -175.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 68' ' ' GLY . 15.2 t70 -164.16 -40.48 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.808 0.337 . . . . 0.0 111.413 -177.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.67 -1.27 1.77 Allowed 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.768 -178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 66' ' ' ASP . . . 81.73 35.31 22.58 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 -164.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.451 HG13 ' HB3' ' A' ' 65' ' ' SER . 8.2 p -124.96 145.79 31.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 114.124 -1.038 . . . . 0.0 110.614 -171.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.2 mt -85.04 122.87 38.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.758 ' HB ' ' HB2' ' A' ' 65' ' ' SER . 1.1 tp -121.01 135.18 62.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.131 0.491 . . . . 0.0 110.38 -176.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.698 ' HB ' HD21 ' A' ' 39' ' ' LEU . 5.0 mp -128.8 124.42 61.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.277 177.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -103.81 97.03 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 170.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.96 135.96 35.85 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.765 -173.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -152.8 104.15 2.84 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.27 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.49 ' HB3' HD21 ' A' ' 83' ' ' ASN . 3.4 tm-20 -94.05 -86.28 0.27 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.231 178.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -146.85 -51.1 0.21 Allowed 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.233 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -158.23 -36.46 0.07 Allowed 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -172.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 t -73.57 106.94 5.56 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.153 -0.342 . . . . 0.0 111.518 -173.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -35.76 81.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.308 0.575 . . . . 0.0 109.606 177.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -58.83 -49.67 76.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.162 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 tp -71.7 -32.44 67.82 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.316 -177.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.49 HD21 ' HB3' ' A' ' 76' ' ' GLU . 13.1 m-80 -63.28 -35.23 79.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.5 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -60.92 -53.75 53.4 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.153 0.501 . . . . 0.0 110.373 173.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -57.12 -43.94 82.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.482 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.583 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -67.39 -45.32 76.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.14 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.64 -47.17 86.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.76 0.314 . . . . 0.0 111.192 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.625 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.6 mt -64.13 -49.39 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.803 178.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.06 75.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.477 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.583 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 8.7 mpt_? -62.02 -45.82 91.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.605 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.3 pp -69.6 -36.28 76.06 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.068 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 88' ' ' ILE . 96.8 t -63.64 -33.06 59.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.053 0.454 . . . . 0.0 110.366 176.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.444 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -71.02 -41.35 70.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.543 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 90' ' ' ARG . 75.2 t -57.32 -42.74 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 120.916 0.389 . . . . 0.0 110.399 177.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 91' ' ' LEU . 94.6 mt -55.7 -35.87 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.701 177.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -81.59 -34.42 31.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.685 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 93' ' ' ALA . 50.9 mt-10 -66.32 -33.36 75.55 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 111.505 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.581 HD22 HD23 ' A' ' 56' ' ' LEU . 11.0 mp -81.41 -15.57 54.77 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 p -99.1 -52.55 3.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.957 0.408 . . . . 0.0 110.484 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.591 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 170.031 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 28.8 p -139.89 175.46 9.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.841 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.0 p -147.42 129.73 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.247 0.546 . . . . 0.0 111.256 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -132.93 116.69 16.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.681 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.01 113.06 11.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.416 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 56.9 tp -122.88 135.4 54.5 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -115.02 147.55 39.97 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.049 174.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.83 152.26 24.13 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.437 ' O ' ' HD2' ' A' ' 134' ' ' LYS . 0.1 OUTLIER -142.3 146.78 35.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.165 0.507 . . . . 0.0 111.4 -179.043 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.14 133.78 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.295 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.44 121.81 4.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.04 0.448 . . . . 0.0 111.8 -177.756 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 138' ' ' PRO . 13.3 ttp180 -158.64 116.42 1.72 Allowed Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.678 172.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 137' ' ' ARG . 23.3 Cg_exo -64.58 150.92 87.41 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.035 2.49 . . . . 0.0 112.486 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.9 tt -109.93 105.39 14.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.839 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -105.25 131.95 52.07 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 49.8 tp -133.47 136.16 44.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.309 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.16 170.05 9.38 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.277 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -120.67 75.02 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.805 0.336 . . . . 0.0 110.178 -178.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -70.26 158.4 35.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.354 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 . . . . . 0 C--N 1.318 -0.764 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.488 -178.085 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.52 ' HA ' ' HB2' ' A' ' 12' ' ' ASP . 19.3 ptm . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 42.2 mm -97.75 95.81 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.45 114.69 26.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.065 -174.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.549 ' HB ' ' O ' ' A' ' 8' ' ' VAL . 20.0 mm -109.64 165.14 5.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.409 ' N ' HG22 ' A' ' 4' ' ' ILE . 50.2 m -71.34 174.62 6.26 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 175.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.77 ' HG3' ' H ' ' A' ' 7' ' ' THR . 8.7 tpt180 67.51 -165.18 0.21 Allowed 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -175.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.77 ' H ' ' HG3' ' A' ' 6' ' ' ARG . 10.6 t -91.35 18.14 7.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.207 0.527 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.549 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 40.9 t -112.65 123.87 68.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.997 -177.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.0 m -147.92 161.29 41.61 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 4.3 mp -117.11 144.24 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -175.134 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.534 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -61.23 154.32 23.84 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 110.798 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.52 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 13.4 t70 -65.45 -48.78 71.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -170.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -89.58 19.39 4.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.05 0.452 . . . . 0.0 111.243 -171.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.534 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 19.3 mm-40 -79.16 -37.56 38.1 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.871 0.367 . . . . 0.0 110.925 176.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.548 HD21 ' HD1' ' A' ' 41' ' ' PHE . 68.7 mt -85.49 138.43 32.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.586 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -88.03 131.41 34.66 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.27 0.557 . . . . 0.0 110.816 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.499 HD13 ' HB3' ' A' ' 39' ' ' LEU . 41.5 mm -103.39 111.92 34.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.534 177.27 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.95 151.18 26.15 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 36' ' ' ALA . . . -82.72 130.92 35.2 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.609 HG12 ' HB2' ' A' ' 38' ' ' HIS . 56.2 mt -67.01 113.53 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.363 0.601 . . . . 0.0 110.551 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 . . . . . 0 C--N 1.317 -0.831 0 CA-C-O 122.081 0.943 . . . . 0.0 109.009 179.511 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.585 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.443 -0.821 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.564 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 46.6 mm -100.14 122.22 51.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-O 121.648 0.737 . . . . 0.0 112.258 -170.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.609 ' HB2' HG12 ' A' ' 20' ' ' ILE . 13.3 t-80 -127.1 108.26 10.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.821 173.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.576 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.7 pt? -116.08 148.18 40.5 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 40' ' ' ARG . 10.4 ptm180 -115.0 120.49 40.07 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.171 -0.612 . . . . 0.0 111.368 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.548 ' HD1' HD21 ' A' ' 15' ' ' LEU . 90.3 t80 -120.35 105.98 11.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.676 177.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.47 ' HB3' HG23 ' A' ' 69' ' ' VAL . 5.5 p-10 -117.3 154.68 30.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.132 0.491 . . . . 0.0 111.031 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 56' ' ' LEU . 2.1 mp -59.13 -42.09 85.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.88 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -63.98 -8.03 10.29 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.17 -4.19 32.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.3 t -137.55 138.79 39.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.111 0.481 . . . . 0.0 110.849 -176.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.09 64.07 3.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.195 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 mt -75.96 150.04 83.2 Favored Pre-proline 0 C--N 1.318 -0.765 0 C-N-CA 122.408 0.283 . . . . 0.0 111.407 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.55 145.04 99.18 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.795 2.33 . . . . 0.0 111.306 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 0.9 OUTLIER -60.32 -40.28 90.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.25 0.834 . . . . 0.0 113.25 -168.909 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -60.53 -51.28 70.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.887 0.375 . . . . 0.0 111.259 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.448 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 60.4 m-85 -65.77 -37.2 85.68 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.109 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -58.05 -41.03 82.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.255 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 13.1 mm-40 -63.44 -46.03 88.19 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.026 0.441 . . . . 0.0 110.636 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -63.44 -36.96 85.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.854 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.565 ' HA ' HD23 ' A' ' 98' ' ' LEU . 92.3 mt -74.62 -28.68 60.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.278 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.0 mt -75.47 -41.91 54.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.716 0.293 . . . . 0.0 111.06 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.6 p -68.8 -47.8 65.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.903 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.963 ' HA ' ' HG ' ' A' ' 98' ' ' LEU . . . 60.1 -167.28 0.18 Allowed 'General case' 0 C--O 1.232 0.173 0 O-C-N 123.804 0.69 . . . . 0.0 112.142 175.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.7 t -169.46 27.59 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.524 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -148.15 155.33 41.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.402 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.99 12.42 0.87 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -174.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.491 HD22 HG21 ' A' ' 94' ' ' VAL . 6.9 mp -83.01 -7.37 59.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.874 0.369 . . . . 0.0 110.921 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.0 mm -80.79 131.64 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.892 174.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.543 ' HB2' HD13 ' A' ' 71' ' ' ILE . 34.8 t -92.96 -80.17 0.38 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.511 -177.232 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.4 -85.38 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.267 -172.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -87.24 -85.23 0.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.994 0.426 . . . . 0.0 110.735 -177.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -139.61 56.95 0.62 Allowed Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.537 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.47 HG23 ' HB3' ' A' ' 42' ' ' ASP . 7.3 p -120.37 141.73 39.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.874 0.369 . . . . 0.0 110.322 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.2 mp -107.4 119.84 57.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.483 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' A' ' 65' ' ' SER . 1.9 mp -102.0 118.13 48.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.191 0.519 . . . . 0.0 110.215 178.09 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.641 HG13 ' HB3' ' A' ' 91' ' ' LEU . 45.6 mm -99.68 115.84 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.725 177.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -96.96 119.64 35.81 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.199 176.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.564 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -120.32 124.19 44.97 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.038 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -153.43 102.37 2.58 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -125.56 -58.86 1.4 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.058 -177.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -167.02 -164.47 0.62 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -176.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 78' ' ' ARG . 13.6 ptt180 -70.69 -174.34 0.89 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.674 0.215 . . . . 0.0 110.765 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.6 m 68.31 85.16 0.14 Allowed 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.597 0.713 . . . . 0.0 111.095 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -57.49 -26.03 60.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.389 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -56.99 -53.6 56.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.753 0.311 . . . . 0.0 111.337 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.616 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 2.1 pp -72.94 -29.61 63.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.219 -177.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -65.31 -40.81 94.23 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.457 ' O ' HG13 ' A' ' 88' ' ' ILE . 31.3 ttt-85 -66.83 -51.64 53.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.779 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.616 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -61.23 -35.83 78.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.993 -177.403 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.47 -37.4 74.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.361 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.55 96.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.279 176.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.683 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 77.6 mt -61.4 -51.42 73.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.143 176.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.29 80.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.917 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.425 ' O ' HG23 ' A' ' 94' ' ' VAL . 11.6 ttp180 -71.0 -35.0 71.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.406 -178.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.2 pp -70.91 -35.76 72.41 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.861 178.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.596 HG12 ' HE2' ' A' ' 96' ' ' LYS . 49.1 t -66.89 -36.62 77.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.539 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . . . -60.15 -41.72 93.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.373 174.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.491 HG21 HD22 ' A' ' 63' ' ' LEU . 75.8 t -63.28 -39.82 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.457 175.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 91' ' ' LEU . 80.3 mt -59.57 -41.04 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.664 176.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.596 ' HE2' HG12 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -59.75 -36.95 77.66 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 120.521 0.201 . . . . 0.0 110.814 175.33 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -66.32 -48.16 71.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.357 0.599 . . . . 0.0 110.781 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.963 ' HG ' ' HA ' ' A' ' 59' ' ' ALA . 6.4 mp -70.31 -33.6 71.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.359 -174.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.4 p -93.76 -5.41 48.39 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.851 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 96' ' ' LYS . . . . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.843 0.354 . . . . 0.0 111.34 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 CA--C 1.533 0.319 0 CA-C-O 120.404 0.145 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 42.8 t -170.91 119.29 0.51 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.75 0.309 . . . . 0.0 111.07 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 16.2 m -143.91 142.24 24.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.021 174.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -179.08 99.99 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 111.411 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -147.88 134.78 20.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.593 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' A' ' 132' ' ' ARG . 2.5 pt? -169.39 126.97 0.94 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.617 0.246 . . . . 0.0 111.414 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 39.2 ttp180 174.71 105.7 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.526 171.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -115.92 99.7 0.9 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.96 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -110.91 140.93 44.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.18 0.514 . . . . 0.0 111.698 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.4 p -142.71 140.1 28.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.328 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -120.87 144.78 48.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.191 0.519 . . . . 0.0 111.794 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -125.55 100.03 32.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.106 176.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -86.21 38.13 0.58 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 123.007 2.472 . . . . 0.0 112.006 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 96.5 mt -86.42 120.17 27.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.443 -170.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -164.65 104.8 0.82 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.875 171.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -123.99 116.91 23.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.025 -170.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.17 150.86 19.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.103 0.478 . . . . 0.0 111.135 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -123.36 112.42 17.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.348 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -122.2 163.9 18.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.934 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 11.7 t60 . . . . . 0 C--N 1.329 -0.319 0 O-C-N 123.987 0.804 . . . . 0.0 111.433 174.861 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.451 ' SD ' ' HA ' ' A' ' 11' ' ' ALA . 14.0 tpt . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.551 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 3.6 mp -102.89 116.24 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.81 0.338 . . . . 0.0 110.182 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.95 125.03 53.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.694 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.465 ' HB ' HG13 ' A' ' 8' ' ' VAL . 30.7 mm -109.9 165.69 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.563 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 29.5 t -56.64 154.16 9.28 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 5' ' ' SER . 13.5 mmt85 75.17 -164.01 0.07 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.752 0.658 . . . . 0.0 109.559 -169.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 t -102.2 35.91 2.27 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.6 0.714 . . . . 0.0 110.447 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.514 HG11 ' HD3' ' A' ' 49' ' ' PRO . 7.7 p -109.09 123.12 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.258 0.552 . . . . 0.0 110.899 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -127.58 152.7 47.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.551 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 mp -117.57 133.15 65.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 177.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.543 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -63.76 150.67 44.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.915 0.388 . . . . 0.0 111.01 -178.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.59 -35.18 79.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.738 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -108.51 33.46 4.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.541 0.686 . . . . 0.0 109.881 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.543 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 2.3 mt-10 -92.56 -35.27 13.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.997 172.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.505 HD13 HD12 ' A' ' 39' ' ' LEU . 97.9 mt -73.15 136.47 44.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.919 -178.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -80.36 98.68 7.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.304 0.574 . . . . 0.0 110.111 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.38 137.22 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.849 -177.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.11 149.34 48.65 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.575 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.92 140.65 29.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.725 0.297 . . . . 0.0 110.258 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.571 ' CG1' ' HB2' ' A' ' 38' ' ' HIS . 64.1 mt -89.52 116.19 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.279 0.561 . . . . 0.0 110.48 178.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.9 ttp85 . . . . . 0 C--N 1.314 -0.966 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.949 179.395 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.518 ' CB ' ' HB3' ' A' ' 75' ' ' GLN . . . . . . . . 0 N--CA 1.446 -0.642 0 CA-C-O 121.147 0.498 . . . . 0.0 110.759 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -102.09 136.67 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.9 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.571 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 57.1 t-80 -127.2 134.26 50.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.138 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.524 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.7 pt? -136.44 149.61 48.33 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 177.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.5 mtp-105 -106.64 110.2 22.32 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.266 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -97.09 102.01 13.69 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 174.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 45' ' ' ALA . 13.4 t70 -102.08 135.31 43.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.689 -173.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.0 mp -77.19 -43.56 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.543 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -66.66 -39.06 88.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.83 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 42' ' ' ASP . . . -73.0 -8.75 57.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.354 -177.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.2 p -112.69 -172.24 2.01 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 120.803 0.335 . . . . 0.0 110.611 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.41 57.83 0.7 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.083 -0.58 . . . . 0.0 111.718 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.9 mt -75.68 155.0 85.41 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.514 ' HD3' HG11 ' A' ' 8' ' ' VAL . 31.8 Cg_exo -58.45 149.04 77.3 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.271 1.98 . . . . 0.0 111.63 175.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.64 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 45.1 mt-10 -50.25 -54.49 20.82 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.566 -173.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -67.62 -34.2 76.5 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -174.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.445 ' HD1' ' HB2' ' A' ' 49' ' ' PRO . 52.6 m-85 -67.82 -43.29 79.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.858 -0.156 . . . . 0.0 111.276 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 50' ' ' GLU . 59.7 pttt -69.53 -33.88 73.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.685 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 15.7 mm100 -71.38 -34.93 70.86 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -59.97 -28.86 68.02 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.814 0.34 . . . . 0.0 111.207 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.7 mt -75.6 -35.03 60.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.367 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.408 HD11 ' HA2' ' A' ' 68' ' ' GLY . 4.0 mm? -91.21 -15.06 29.88 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -176.593 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.4 p -88.51 -34.41 17.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.207 0.527 . . . . 0.0 110.829 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.16 123.87 26.53 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.151 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.0 m -79.07 69.68 5.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.391 0.615 . . . . 0.0 109.839 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -94.1 133.37 37.65 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -75.72 -8.26 56.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.036 0.445 . . . . 0.0 111.336 -167.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.6 mp -75.21 -15.66 60.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.189 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.6 mm -77.06 137.41 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 174.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.421 ' OG ' HG13 ' A' ' 69' ' ' VAL . 13.8 p -97.16 -84.75 0.37 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.711 -174.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -133.65 -76.92 0.48 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.823 0.344 . . . . 0.0 111.906 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -104.77 64.65 0.74 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.125 0.488 . . . . 0.0 112.129 -170.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.408 ' HA2' HD11 ' A' ' 57' ' ' LEU . . . 71.69 38.11 61.3 Favored Glycine 0 C--N 1.32 -0.325 0 CA-C-N 115.374 -0.83 . . . . 0.0 114.253 169.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.421 HG13 ' OG ' ' A' ' 65' ' ' SER . 7.8 p -134.93 142.52 40.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.071 0.462 . . . . 0.0 109.862 174.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.0 mt -102.0 133.87 44.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.227 -176.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.2 mm -106.8 122.93 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-O 121.155 0.502 . . . . 0.0 110.957 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.524 ' HB ' HD21 ' A' ' 39' ' ' LEU . 5.2 mp -120.98 132.68 69.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.886 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.422 ' HG2' ' CD1' ' A' ' 20' ' ' ILE . 83.3 mttt -119.1 108.83 15.19 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.801 0.81 . . . . 0.0 110.041 173.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.9 124.65 52.7 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.37 -1.286 . . . . 0.0 111.196 -175.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.518 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 13.1 pt20 -156.59 107.9 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.447 0.641 . . . . 0.0 111.439 178.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -74.34 -62.56 1.48 Allowed 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 167.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -147.72 -58.16 0.25 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.645 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -157.42 -42.87 0.07 Allowed 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.9 m -51.09 113.58 0.96 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.314 0.578 . . . . 0.0 112.066 -174.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.422 ' CD ' ' H ' ' A' ' 80' ' ' GLN . 19.8 mp0 -67.8 -42.52 81.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.252 -171.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -59.34 -53.48 57.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.277 -174.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.3 pp -68.73 -35.02 76.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.839 0.352 . . . . 0.0 110.36 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -65.66 -39.03 90.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.549 177.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -65.7 -47.46 75.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.09 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -61.98 -38.16 87.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.444 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.46 -32.14 73.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.467 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.444 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -68.98 -38.5 79.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.484 176.34 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.585 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 76.2 mt -60.72 -50.47 80.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.877 175.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.11 -34.61 76.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.571 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 94' ' ' VAL . 22.8 tpt180 -60.85 -49.18 78.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.974 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.2 pp -64.8 -38.82 92.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.564 -177.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.518 HG12 ' HE3' ' A' ' 96' ' ' LYS . 69.0 t -63.0 -41.06 91.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.068 0.461 . . . . 0.0 110.143 177.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.526 ' HA ' ' HG2' ' A' ' 96' ' ' LYS . . . -65.89 -44.96 83.75 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.61 177.15 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 90' ' ' ARG . 78.3 t -55.34 -43.45 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.397 . . . . 0.0 110.345 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 91' ' ' LEU . 94.8 mt -59.24 -46.3 92.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.526 ' HG2' ' HA ' ' A' ' 93' ' ' ALA . 15.3 ptpt -75.39 -30.18 60.06 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.293 -0.254 . . . . 0.0 111.681 -177.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.48 -31.74 73.08 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.097 0.475 . . . . 0.0 110.98 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 94' ' ' VAL . 11.0 mp -91.47 -38.01 12.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.229 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.4 p -74.52 -37.44 63.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.427 . . . . 0.0 111.195 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.596 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.612 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--O 1.234 0.254 0 CA-C-O 120.555 0.217 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.6 t -161.94 97.34 1.04 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.233 0.539 . . . . 0.0 110.759 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.23 143.92 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.939 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -163.94 103.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 0.0 111.115 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -155.61 121.79 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.198 176.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.459 ' O ' HD22 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -159.2 133.15 7.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.021 0.438 . . . . 0.0 110.635 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -173.43 158.36 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.48 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 152.32 146.67 4.4 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.664 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -135.63 102.82 5.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.9 m -125.96 122.93 63.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.852 0.358 . . . . 0.0 111.406 -176.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.438 ' HA ' ' HE ' ' A' ' 136' ' ' ARG . 3.2 tpm_? -177.6 118.71 0.1 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.162 177.119 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -147.32 83.67 7.64 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -96.39 148.41 1.15 Allowed 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.286 2.658 . . . . 0.0 113.757 -177.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 61.9 mt -148.08 135.21 20.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.69 172.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -158.96 100.09 1.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.143 0.496 . . . . 0.0 111.119 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 56.4 tp -139.35 108.24 5.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.639 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.19 124.95 16.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.054 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -147.45 108.3 4.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -121.72 154.61 36.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.897 0.379 . . . . 0.0 110.799 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.767 -174.196 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ttt . . . . . 0 N--CA 1.483 1.221 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp -106.55 134.1 49.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 0.0 110.835 -177.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.97 116.78 30.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.11 0.481 . . . . 0.0 110.64 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 5' ' ' SER . 30.8 mm -100.13 163.48 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.738 -179.431 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 7.1 t -62.63 162.47 10.53 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.511 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 1.6 mmp_? 69.86 28.17 4.35 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 122.472 0.309 . . . . 0.0 110.787 -175.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 t 48.96 31.46 3.28 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.356 1.063 . . . . 0.0 112.444 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -96.22 114.37 32.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.003 176.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -94.13 144.06 25.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.855 0.359 . . . . 0.0 110.332 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.412 HG22 ' HG3' ' A' ' 14' ' ' GLU . 52.0 mt -123.11 152.51 27.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.415 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -62.0 175.23 0.72 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.161 0.505 . . . . 0.0 111.835 -176.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -82.18 -55.35 4.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.534 -168.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -85.2 29.48 0.65 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.391 0.615 . . . . 0.0 110.436 -175.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.415 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 6.6 mm-40 -84.08 -24.5 30.33 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 121.11 0.481 . . . . 0.0 110.029 175.617 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.7 mt -73.9 122.9 23.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.051 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -87.04 101.68 13.69 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.533 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.9 mm -87.8 125.07 41.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.976 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p -121.89 138.56 54.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.532 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.56 132.31 40.83 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 176.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.528 HD11 ' HB2' ' A' ' 38' ' ' HIS . 26.6 mt -89.43 139.67 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.964 0.411 . . . . 0.0 110.499 179.831 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 75' ' ' GLN . . . . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.506 HG21 ' HA ' ' A' ' 84' ' ' ARG . 29.5 mm -100.04 127.46 52.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.222 0.534 . . . . 0.0 110.923 -176.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.528 ' HB2' HD11 ' A' ' 20' ' ' ILE . 57.5 t-80 -136.76 131.55 33.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.212 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.467 HD11 ' CD2' ' A' ' 91' ' ' LEU . 2.3 pt? -145.45 150.83 37.22 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.972 -0.455 . . . . 0.0 110.541 176.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -127.65 149.14 50.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.539 -179.687 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -125.48 113.84 18.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.858 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -101.18 151.66 21.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.797 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.429 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.1 mp -70.95 -44.53 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.443 -176.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -76.53 0.74 18.84 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.094 0.474 . . . . 0.0 110.735 -176.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.72 -4.61 56.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.904 0.383 . . . . 0.0 110.268 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 t -155.74 -165.16 1.89 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.79 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -126.15 83.57 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.031 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.9 mt -76.16 154.26 84.45 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 120.541 0.21 . . . . 0.0 111.102 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.68 148.75 87.28 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.853 2.369 . . . . 0.0 111.807 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -56.8 -45.54 82.15 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -174.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -59.25 -43.5 92.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.978 0.418 . . . . 0.0 111.115 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.414 ' HE1' ' HB2' ' A' ' 98' ' ' LEU . 63.1 t80 -74.97 -46.61 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.718 -177.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 53' ' ' LYS . 36.2 ttpt -51.96 -50.46 61.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.128 -177.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -65.68 -41.53 92.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.575 -175.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -66.94 -23.59 65.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.902 -176.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.468 HD23 ' HG ' ' A' ' 98' ' ' LEU . 91.0 mt -63.65 -32.14 73.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.324 . . . . 0.0 110.976 176.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -86.4 -31.65 21.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.045 0.45 . . . . 0.0 110.365 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.8 m -71.63 -43.07 66.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.301 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.73 105.78 17.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.863 0.363 . . . . 0.0 110.412 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.1 t -78.99 67.54 4.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.548 0.69 . . . . 0.0 109.205 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -60.78 137.77 58.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -57.67 -31.65 66.55 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -167.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.579 HD12 HG21 ' A' ' 94' ' ' VAL . 49.8 mt -76.99 -6.97 54.72 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.476 ' CD1' HG12 ' A' ' 70' ' ' ILE . 36.7 mm -81.48 131.41 33.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 168.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.542 ' HB2' HD13 ' A' ' 71' ' ' ILE . 13.6 t -75.43 -71.62 0.35 Allowed 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.671 -0.812 . . . . 0.0 109.995 -174.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -165.26 -42.38 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.993 0.425 . . . . 0.0 110.692 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.64 -3.19 17.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.072 -176.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.83 3.5 45.93 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.365 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 p -102.15 143.99 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -175.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.476 HG12 ' CD1' ' A' ' 64' ' ' ILE . 4.3 mt -88.92 126.28 41.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.242 -177.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.542 HD13 ' HB2' ' A' ' 65' ' ' SER . 1.8 mp -114.42 119.5 61.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.769 0.319 . . . . 0.0 110.706 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 72' ' ' ILE . 4.5 mp -123.68 126.1 72.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.965 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.61 143.81 49.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 175.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.45 135.43 31.99 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.526 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.486 ' O ' ' HG3' ' A' ' 75' ' ' GLN . 19.4 pt20 -157.71 104.08 1.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.131 0.491 . . . . 0.0 110.825 -176.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -111.26 -53.55 2.69 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.157 0.503 . . . . 0.0 110.356 171.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -142.38 -171.84 3.48 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.79 11.88 5.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.852 0.358 . . . . 0.0 111.056 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.2 m -88.68 97.39 11.1 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.416 ' HA ' ' HB2' ' A' ' 83' ' ' ASN . 2.5 mp0 -70.48 -20.19 62.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.136 -174.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -57.73 -53.23 60.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.865 0.364 . . . . 0.0 110.512 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.865 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 4.1 pp -76.74 -32.34 57.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.172 0.51 . . . . 0.0 110.965 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.416 ' HB2' ' HA ' ' A' ' 80' ' ' GLN . 91.9 m-20 -61.33 -45.16 95.57 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.05 175.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.506 ' HA ' HG21 ' A' ' 37' ' ' ILE . 36.8 ttm180 -68.17 -48.4 65.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.693 -178.1 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.865 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 1.9 pt-20 -57.85 -38.91 76.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 -177.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.575 ' N ' ' HG3' ' A' ' 85' ' ' GLU . . . -67.47 -45.26 76.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.543 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.66 91.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.633 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 79.0 mt -63.95 -51.84 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.934 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.87 -39.69 78.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.802 0.334 . . . . 0.0 111.254 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.541 ' O ' HG23 ' A' ' 94' ' ' VAL . 7.6 mpt_? -63.37 -47.5 81.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.374 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.5 pp -66.38 -38.96 88.73 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.777 -176.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.534 HG12 ' HE2' ' A' ' 96' ' ' LYS . 88.7 t -61.86 -40.2 86.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.27 178.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.84 -46.71 88.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 175.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.579 HG21 HD12 ' A' ' 63' ' ' LEU . 71.8 t -60.79 -43.03 94.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.055 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 91' ' ' LEU . 65.6 mt -55.66 -34.3 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.547 176.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.534 ' HE2' HG12 ' A' ' 92' ' ' VAL . 52.6 mtmt -81.31 -28.29 34.66 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.73 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.2 -26.36 66.31 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.468 ' HG ' HD23 ' A' ' 56' ' ' LEU . 4.5 mm? -73.33 -17.07 61.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.808 0.337 . . . . 0.0 111.449 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.5 p -115.0 -52.6 2.69 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.042 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 171.74 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.3 m . . . . . 0 N--CA 1.464 0.253 0 CA-C-O 120.607 0.242 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 34.3 p -162.01 135.63 6.39 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.099 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.0 m -137.59 114.62 12.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.049 0.452 . . . . 0.0 111.114 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.868 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -122.24 132.94 54.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.319 178.387 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -150.03 148.38 28.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.059 175.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.9 tp -154.77 162.59 41.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.54 0.209 . . . . 0.0 110.555 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -155.78 -179.95 8.62 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -155.17 174.35 33.35 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.129 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -165.21 139.03 4.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 13.1 p -172.9 153.66 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -154.48 156.81 37.39 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -167.38 87.71 0.76 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.938 0.399 . . . . 0.0 110.571 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -96.18 128.07 0.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.515 2.81 . . . . 0.0 112.675 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 51.4 tp -146.93 131.74 18.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.032 0.444 . . . . 0.0 111.072 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -126.25 159.73 32.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 173.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.36 133.94 41.18 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -79.87 177.81 8.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.123 0.487 . . . . 0.0 111.563 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -148.08 139.83 23.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.085 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -135.11 87.24 2.32 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 174.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.948 -176.888 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.573 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 3.5 mp -82.49 125.07 39.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.113 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.56 115.68 29.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.721 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.689 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 26.7 mm -99.58 164.79 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.436 ' N ' HG22 ' A' ' 4' ' ' ILE . 7.5 t -74.32 -177.24 2.95 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.538 ' HG2' HG22 ' A' ' 7' ' ' THR . 22.8 ttt180 67.65 -77.27 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.19 0.596 . . . . 0.0 110.92 -178.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.538 HG22 ' HG2' ' A' ' 6' ' ' ARG . 15.0 t -174.19 19.68 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.034 0.445 . . . . 0.0 111.057 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.689 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 18.4 t -99.57 144.99 11.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 122.198 -0.314 . . . . 0.0 110.828 -173.243 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.409 ' C ' HD12 ' A' ' 10' ' ' ILE . 17.7 m -148.25 149.65 32.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.043 0.449 . . . . 0.0 110.349 176.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.573 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.1 mp -124.48 127.92 73.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.743 -178.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.554 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -68.87 155.56 40.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.993 0.425 . . . . 0.0 110.947 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.46 -29.86 71.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.193 -174.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -86.78 -6.8 58.71 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.72 -174.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.554 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 12.7 mm-40 -75.14 -41.75 57.68 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 120.975 0.417 . . . . 0.0 110.727 -177.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.8 mt -85.33 143.67 28.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.757 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.534 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 45.7 mt-10 -83.0 112.18 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.241 178.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.7 mm -96.95 112.31 28.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 172.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.09 144.67 48.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.296 0.57 . . . . 0.0 112.1 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.5 127.69 33.56 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.604 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.9 mp -67.44 113.17 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.825 0.345 . . . . 0.0 110.157 -176.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 21' ' ' ARG . 4.2 tpt180 . . . . . 0 C--N 1.319 -0.738 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 176.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.67 ' HB2' ' HB3' ' A' ' 75' ' ' GLN . . . . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 120.848 0.356 . . . . 0.0 111.41 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.5 mm -113.0 121.81 65.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.522 177.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -112.74 127.13 56.06 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.603 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.5 pt? -136.78 149.2 47.66 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.877 0.37 . . . . 0.0 111.136 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -102.71 114.45 28.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.088 174.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.551 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 49.3 t80 -96.94 100.84 12.35 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 170.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -106.47 118.64 37.17 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.076 -170.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.4 mt -70.2 -44.17 78.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.951 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -59.39 -38.7 81.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.172 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.24 -15.89 58.35 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -177.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 p -107.93 176.35 5.17 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.286 0.565 . . . . 0.0 110.934 -177.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.52 56.83 0.5 Allowed Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.654 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.23 148.54 91.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.929 -0.136 . . . . 0.0 110.859 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.61 145.39 97.7 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.674 2.25 . . . . 0.0 111.376 176.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.86 -33.16 73.69 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -174.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -62.35 -33.67 75.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 111.205 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -79.0 -42.76 25.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.151 0.5 . . . . 0.0 109.927 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.95 -46.37 89.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.446 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 54' ' ' GLN . 18.0 mm-40 -61.6 -43.16 99.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.673 -177.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -60.22 -39.19 85.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.613 0.244 . . . . 0.0 111.424 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.519 HD23 ' HG ' ' A' ' 98' ' ' LEU . 95.3 mt -71.63 -28.63 63.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.482 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.4 mt -90.06 -26.64 20.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.744 -177.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.0 p -80.19 -48.53 12.99 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.231 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.16 111.6 15.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.627 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 m -77.22 76.76 3.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.27 0.557 . . . . 0.0 110.828 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.6 134.99 33.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.197 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -61.42 -12.46 14.59 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -175.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.38 -21.88 62.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.818 0.342 . . . . 0.0 110.451 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.607 HD13 HG12 ' A' ' 70' ' ' ILE . 36.1 mm -79.64 134.39 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 174.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.448 ' OG ' HD13 ' A' ' 71' ' ' ILE . 22.5 m -78.24 -79.26 0.13 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.21 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -153.43 -54.28 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.671 0.272 . . . . 0.0 111.508 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -79.6 -15.76 57.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.185 0.516 . . . . 0.0 111.32 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 120.42 16.92 4.53 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.124 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.96 144.22 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.607 HG12 HD13 ' A' ' 64' ' ' ILE . 42.0 mt -103.7 122.41 56.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.448 HD13 ' OG ' ' A' ' 65' ' ' SER . 1.7 mp -108.34 120.82 60.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.29 0.567 . . . . 0.0 110.46 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.603 ' HB ' HD21 ' A' ' 39' ' ' LEU . 4.9 mp -113.55 131.48 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.806 178.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -119.33 99.87 6.96 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.9 125.92 50.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.791 -175.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.67 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 10.2 pt20 -154.76 104.44 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.811 -178.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -117.62 -38.66 3.25 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.206 175.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.455 ' HB3' HD21 ' A' ' 82' ' ' LEU . 13.0 t80 -147.24 176.21 10.16 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -176.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -66.93 -21.46 65.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 111.039 176.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.427 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 14.1 m -73.02 104.94 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.47 -20.17 66.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.191 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -59.91 -53.5 57.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.087 0.47 . . . . 0.0 110.903 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' A' ' 77' ' ' PHE . 4.2 pp -72.33 -34.63 68.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.432 -178.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -61.92 -39.52 92.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.293 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.2 tpp180 -61.37 -51.55 68.34 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.752 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -57.14 -46.09 83.0 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.42 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 90' ' ' ARG . . . -60.85 -42.0 96.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.482 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.4 83.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.842 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.65 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 74.9 mt -66.86 -49.12 77.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.727 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.79 73.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.83 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -65.04 -44.16 89.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.16 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.3 pp -69.51 -34.85 74.88 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -178.294 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.524 ' HA ' HD12 ' A' ' 95' ' ' ILE . 66.6 t -65.6 -39.06 83.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.084 176.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -63.22 -38.37 90.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 175.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 90' ' ' ARG . 89.4 t -60.65 -41.74 89.25 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.079 175.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 92' ' ' VAL . 84.5 mt -55.15 -46.74 77.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.026 176.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -64.32 -43.81 93.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.941 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.578 ' HG2' ' HA ' ' A' ' 94' ' ' VAL . 9.0 pt-20 -74.46 -27.64 60.68 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.876 -176.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.519 ' HG ' HD23 ' A' ' 56' ' ' LEU . 4.0 mm? -82.81 -30.42 28.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.5 p -92.69 4.98 52.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.101 0.477 . . . . 0.0 110.817 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.499 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.409 178.099 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.662 0.268 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.6 t -147.08 99.93 3.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.652 0.263 . . . . 0.0 110.837 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.2 88.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.069 0.461 . . . . 0.0 111.269 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -164.67 120.95 1.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -149.21 158.97 44.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.489 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.5 pp -158.41 128.57 6.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.168 0.509 . . . . 0.0 110.881 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -137.48 132.64 33.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.317 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 161.77 107.28 0.22 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 119.689 -1.243 . . . . 0.0 113.836 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -142.78 132.83 24.38 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 173.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.1 m -102.41 163.58 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.073 0.463 . . . . 0.0 111.843 -173.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.481 ' NE ' ' HA ' ' A' ' 136' ' ' ARG . 3.5 mmp_? -120.53 130.67 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.936 177.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -116.1 97.88 50.26 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -86.16 137.86 5.47 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 123.436 2.757 . . . . 0.0 112.474 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.8 mp -112.23 153.14 27.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.125 0.488 . . . . 0.0 110.762 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -116.49 130.89 57.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.26 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 5.7 tt -157.92 114.69 2.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.999 0.428 . . . . 0.0 110.949 -176.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -156.04 112.78 3.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.729 169.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -89.99 84.27 6.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -81.51 107.6 14.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.17 -175.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 120.977 0.418 . . . . 0.0 111.071 -175.562 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.0 ttp . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.604 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 34.6 mm -76.04 111.67 12.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.899 0.38 . . . . 0.0 110.3 -177.578 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.2 114.87 27.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.628 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.3 mm -99.52 160.98 3.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 8.4 t -64.03 147.79 51.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 5' ' ' SER . 0.1 OUTLIER 67.06 -167.08 0.21 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.455 -173.83 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 t -81.37 47.52 1.05 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.474 0.654 . . . . 0.0 111.514 -175.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.1 t -122.02 135.68 61.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.1 m -152.46 158.57 42.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.539 0.209 . . . . 0.0 110.687 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.604 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 40.3 mt -121.08 125.97 74.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.105 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.536 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -72.37 162.27 29.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.118 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -62.28 -44.13 97.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.299 -175.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -72.98 -15.99 61.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.536 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 14.0 mm-40 -80.16 -12.86 59.61 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 121.165 0.507 . . . . 0.0 110.768 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.518 HD21 HG13 ' A' ' 2' ' ' ILE . 96.8 mt -84.5 129.3 34.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.642 179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -85.32 94.99 9.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.009 0.433 . . . . 0.0 109.914 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.8 mm -95.15 123.92 47.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.932 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.88 147.72 46.63 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.8 137.99 31.88 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.591 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 50.6 mt -81.69 108.99 15.37 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 CA-C-O 120.996 0.427 . . . . 0.0 110.259 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 . . . . . 0 C--N 1.316 -0.852 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.525 179.195 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.591 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.532 HD11 ' HB3' ' A' ' 80' ' ' GLN . 44.6 mm -100.57 131.44 48.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.81 0.338 . . . . 0.0 111.49 -174.244 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.478 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 52.2 t-80 -138.52 119.29 14.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.937 176.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.7 pt? -129.28 149.84 50.91 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 177.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.542 ' HG3' HG13 ' A' ' 71' ' ' ILE . 35.4 ttp180 -132.33 151.78 51.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.143 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.433 ' HB3' HD11 ' A' ' 70' ' ' ILE . 88.1 t80 -151.58 129.74 11.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.944 0.402 . . . . 0.0 110.699 177.074 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -105.46 138.26 41.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.05 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.584 HG13 HD12 ' A' ' 48' ' ' LEU . 2.3 mp -63.14 -43.77 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.893 -178.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -29.36 70.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.437 -177.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.74 -45.68 91.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.1 m -102.31 -2.1 29.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -177.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.23 68.98 1.42 Allowed Glycine 0 C--N 1.319 -0.394 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.658 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.584 HD12 HG13 ' A' ' 43' ' ' ILE . 89.0 mt -75.37 149.11 84.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.606 0.241 . . . . 0.0 110.667 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.23 159.28 27.17 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.887 2.392 . . . . 0.0 112.302 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.533 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -66.28 -34.21 77.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.713 -176.333 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -56.49 -35.9 68.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.01 0.433 . . . . 0.0 110.89 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.47 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 88.3 m-85 -81.54 -50.14 9.73 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.215 176.176 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -55.0 -46.95 75.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.122 -174.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.4 mm100 -63.5 -40.63 97.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.569 0.223 . . . . 0.0 111.286 -176.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 79.6 mtt180 -74.98 -31.44 61.44 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.141 -0.224 . . . . 0.0 111.443 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.508 HD23 HD22 ' A' ' 98' ' ' LEU . 96.2 mt -67.32 -29.42 68.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.767 0.318 . . . . 0.0 110.862 177.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.7 mt -89.41 -28.47 19.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.562 -178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.427 ' OG1' ' HA ' ' A' ' 55' ' ' ARG . 11.9 p -80.79 -37.8 29.62 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.758 0.313 . . . . 0.0 111.382 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.08 88.44 6.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 120.94 0.4 . . . . 0.0 110.021 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -69.44 91.33 0.56 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.049 -177.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.34 152.11 24.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.21 173.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -78.63 -16.22 57.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.369 0.604 . . . . 0.0 109.665 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.6 mt -67.91 -20.03 65.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.152 170.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.468 ' CD1' HG22 ' A' ' 70' ' ' ILE . 13.7 mm -88.01 126.15 41.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.283 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.579 ' HB2' HD13 ' A' ' 71' ' ' ILE . 21.0 t -68.6 -77.78 0.07 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.663 -174.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -174.03 -44.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.742 0.306 . . . . 0.0 110.882 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -82.4 35.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.616 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.33 32.56 75.98 Favored Glycine 0 C--O 1.227 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 113.12 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.0 p -131.48 144.63 36.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 64' ' ' ILE . 27.6 pt -101.05 138.62 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 -177.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.579 HD13 ' HB2' ' A' ' 65' ' ' SER . 2.7 mp -132.83 120.3 40.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.913 0.387 . . . . 0.0 110.047 177.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.28 125.41 74.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.095 0.474 . . . . 0.0 110.201 175.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.578 ' HB2' HD11 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -119.51 150.82 39.61 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 171.492 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.08 155.79 34.69 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.308 0.575 . . . . 0.0 112.273 -174.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.447 ' O ' ' HG3' ' A' ' 75' ' ' GLN . 17.4 pt20 -153.94 101.67 2.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.715 173.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -108.48 -36.75 6.14 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.84 -177.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -170.86 164.99 7.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -174.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 78' ' ' ARG . 7.6 mmt180 -66.99 -1.88 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 m -91.96 90.6 7.49 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 171.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.532 ' HB3' HD11 ' A' ' 37' ' ' ILE . 24.7 mp0 -64.06 -25.3 68.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.846 -174.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.58 -47.06 83.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.122 0.487 . . . . 0.0 110.441 176.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -35.1 77.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.986 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.543 HD22 ' N ' ' A' ' 83' ' ' ASN . 0.8 OUTLIER -67.61 -36.69 81.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.182 0.515 . . . . 0.0 109.845 179.632 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 84' ' ' ARG . 12.8 ttm180 -63.0 -49.57 74.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.043 177.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -56.59 -42.7 79.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.34 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.16 98.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.26 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.94 96.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.753 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.617 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 93.6 mt -65.12 -51.0 71.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.825 177.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.81 -36.61 72.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 94' ' ' VAL . 23.7 tpt180 -57.44 -52.07 66.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.096 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.1 pp -67.07 -38.74 86.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.864 -175.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.3 t -62.57 -44.07 99.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.524 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -61.69 -45.7 92.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 90' ' ' ARG . 82.7 t -57.11 -46.08 84.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.093 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 91' ' ' LEU . 84.6 mt -58.6 -45.88 90.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.817 0.341 . . . . 0.0 110.553 178.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -69.52 -19.89 63.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.786 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 8.5 mm-40 -75.93 -48.95 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.034 0.445 . . . . 0.0 110.467 176.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.508 HD22 HD23 ' A' ' 56' ' ' LEU . 11.1 mp -71.21 -40.81 70.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.166 -177.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.8 p -108.63 42.11 1.46 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.042 0.449 . . . . 0.0 111.212 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.813 177.076 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.9 t . . . . . 0 C--O 1.234 0.275 0 CA-C-O 120.991 0.424 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 32.2 m -143.49 108.07 4.85 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 4.8 p -131.82 88.93 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 122.145 0.974 . . . . 0.0 111.832 -176.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.415 ' HE3' ' HB3' ' A' ' 129' ' ' LYS . 27.7 mtpp -138.77 91.71 2.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.881 174.113 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -122.8 128.35 50.32 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.22 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.441 HD23 ' H ' ' A' ' 131' ' ' LEU . 2.3 pt? -132.36 147.0 52.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.996 0.427 . . . . 0.0 110.337 -178.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.767 ' HE ' ' HA ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -118.94 141.13 48.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.214 -179.024 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -110.36 -159.47 17.11 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.034 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.538 ' O ' ' HD2' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -149.61 127.26 11.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.262 0.554 . . . . 0.0 110.772 177.526 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 42.2 t -101.35 85.48 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.451 0.644 . . . . 0.0 110.086 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -162.07 111.79 1.52 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.385 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -149.29 89.71 4.78 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.327 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -92.64 157.61 2.91 Favored 'Trans proline' 0 N--CA 1.448 -1.173 0 C-N-CA 123.195 2.596 . . . . 0.0 111.683 174.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.8 mp -98.44 126.58 44.03 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -72.26 137.29 46.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.98 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 5.4 tt -78.3 95.9 5.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.19 0.519 . . . . 0.0 109.856 -177.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -99.28 94.22 6.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.007 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -135.56 104.0 5.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.181 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -65.47 171.72 3.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.233 176.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 63.9 m80 . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 121.122 0.487 . . . . 0.0 112.152 -175.952 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptm . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.541 HD11 HD11 ' A' ' 15' ' ' LEU . 4.4 mp -91.99 122.03 43.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.988 -176.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.54 108.07 20.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.677 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.494 ' HB ' ' O ' ' A' ' 8' ' ' VAL . 42.1 mm -95.8 159.87 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -65.91 -178.99 0.65 Allowed 'General case' 0 C--O 1.239 0.545 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -175.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 69.91 -76.91 0.06 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.019 -177.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.6 t -178.55 24.27 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.946 0.403 . . . . 0.0 110.798 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.494 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 44.5 t -116.76 117.26 54.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.613 0.244 . . . . 0.0 110.949 -174.209 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 m -115.39 150.47 36.32 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 174.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.63 130.28 74.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.97 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.469 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -68.18 129.67 40.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.513 178.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -75.94 -13.19 60.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.252 0.549 . . . . 0.0 110.393 -178.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -74.8 -12.42 60.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.39 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.469 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 19.3 mm-40 -87.55 -9.65 53.82 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.353 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.541 HD11 HD11 ' A' ' 2' ' ' ILE . 85.5 mt -77.07 143.75 39.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.188 0.518 . . . . 0.0 111.79 -173.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.657 ' HB2' ' HB2' ' A' ' 40' ' ' ARG . 45.9 mt-10 -91.47 109.02 20.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.252 175.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.8 mm -89.95 127.91 42.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.08 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.13 147.51 50.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.281 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.06 149.15 21.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.084 177.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.3 mm -87.41 127.02 41.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.107 0.479 . . . . 0.0 110.452 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.003 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 75' ' ' GLN . . . . . . . . 0 N--CA 1.449 -0.51 0 CA-C-O 120.861 0.362 . . . . 0.0 111.428 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.488 HD11 ' HG3' ' A' ' 80' ' ' GLN . 25.7 mm -100.61 120.45 50.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.656 176.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -118.15 107.44 13.97 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.458 174.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.692 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.7 pt? -112.09 149.44 32.11 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.469 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.657 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 79.0 mtp180 -108.14 114.82 29.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.615 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -115.32 101.57 9.06 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 173.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.474 ' HB3' HG23 ' A' ' 69' ' ' VAL . 7.7 p-10 -110.33 140.87 44.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.791 0.805 . . . . 0.0 111.954 -173.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.818 HG13 HD12 ' A' ' 48' ' ' LEU . 2.5 mp -73.68 -40.62 54.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.166 178.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -44.27 -48.22 9.46 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.954 -175.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.43 -20.27 28.42 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -176.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 p -94.94 178.81 5.44 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 121.149 0.5 . . . . 0.0 111.063 -174.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.05 60.2 0.56 Allowed Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.675 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.818 HD12 HG13 ' A' ' 43' ' ' ILE . 92.5 mt -76.25 147.39 79.5 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-O 120.545 0.212 . . . . 0.0 110.516 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -56.43 131.49 46.07 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.888 2.392 . . . . 0.0 111.564 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.586 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 44.0 tt0 -63.38 -30.97 72.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.413 -173.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -57.68 -40.21 78.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.624 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.445 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 5.4 m-85 -81.0 -38.25 27.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.157 0.503 . . . . 0.0 110.001 176.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.586 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 87.7 tttt -54.97 -48.29 73.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.556 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.425 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 16.0 mm-40 -61.87 -42.7 99.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.366 -178.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -59.67 -43.0 94.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.989 177.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.502 ' HA ' HD23 ' A' ' 98' ' ' LEU . 83.4 mt -63.23 -39.38 94.45 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.044 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.0 mt -78.27 -14.93 59.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.609 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.8 m -92.42 -49.26 6.23 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.529 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.439 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . . . -97.5 96.4 8.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.953 0.406 . . . . 0.0 111.723 -175.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.4 t -77.89 79.31 4.37 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 173.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.491 ' O ' ' HB2' ' A' ' 62' ' ' HIS . 2.8 t60 -64.14 -43.83 94.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.874 -176.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 61' ' ' HIS . 66.6 t60 173.56 -40.72 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.862 0.726 . . . . 0.0 110.391 174.112 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.432 HD13 HG13 ' A' ' 72' ' ' ILE . 82.8 mt -78.16 -13.89 59.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.746 -176.69 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.1 mm -84.25 125.23 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -86.69 -85.02 0.17 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.095 -178.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -161.07 -54.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.578 0.228 . . . . 0.0 111.027 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -61.75 -15.94 45.26 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.344 -174.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.59 39.83 2.31 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -173.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.474 HG23 ' HB3' ' A' ' 42' ' ' ASP . 7.1 p -128.87 143.38 41.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 43.3 mt -105.99 118.45 53.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.915 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.9 mp -106.12 117.73 52.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.121 0.486 . . . . 0.0 110.419 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.692 ' HB ' HD21 ' A' ' 39' ' ' LEU . 4.5 mp -114.39 125.26 71.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 37' ' ' ILE . 6.1 ptmm? -119.34 129.73 55.0 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -126.28 123.5 38.23 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.347 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.497 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 3.1 pt20 -157.2 102.22 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -144.63 -43.84 0.24 Allowed 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.423 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -128.34 173.17 10.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.359 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.846 ' HG2' ' H ' ' A' ' 79' ' ' SER . 16.9 ttp180 -90.93 -164.4 1.17 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.846 ' H ' ' HG2' ' A' ' 78' ' ' ARG . 23.8 m 68.44 82.33 0.17 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.434 0.635 . . . . 0.0 109.965 -176.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.488 ' HG3' HD11 ' A' ' 37' ' ' ILE . 1.3 mp0 -59.4 -16.33 22.4 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.804 -172.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -56.79 -50.16 73.17 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 120.864 0.364 . . . . 0.0 110.719 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 79' ' ' SER . 4.0 pp -76.47 -34.47 58.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.332 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -57.44 -41.92 81.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.417 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -61.88 -52.45 64.05 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.3 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -60.7 -41.87 96.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.782 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.471 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -62.47 -38.98 91.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.031 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.85 99.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.975 0.417 . . . . 0.0 110.384 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.648 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 76.9 mt -64.09 -47.95 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.591 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.79 -39.25 77.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.471 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 6.2 mpt_? -59.69 -48.37 81.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.747 177.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.8 pp -69.55 -34.86 74.81 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.784 -176.448 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 88' ' ' ILE . 93.7 t -62.04 -44.48 99.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.935 178.345 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.84 96.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.59 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 90' ' ' ARG . 90.8 t -59.94 -39.42 80.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.961 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 91' ' ' LEU . 83.5 mt -57.2 -41.18 77.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.688 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -67.54 -32.68 73.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.314 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.5 -34.19 73.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.841 0.353 . . . . 0.0 111.455 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' ' 56' ' ' LEU . 11.3 mp -89.49 -8.34 53.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.913 -176.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.9 p -102.0 -56.26 2.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.012 0.434 . . . . 0.0 110.625 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.501 176.462 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.733 0.301 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.5 m -152.61 97.12 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.14 114.13 2.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.139 0.495 . . . . 0.0 111.622 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -153.2 136.11 15.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.796 176.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -154.33 155.08 34.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.664 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.7 pp -158.99 165.67 33.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.71 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -171.8 144.86 1.84 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.767 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.38 127.7 1.69 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.068 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -149.14 133.86 17.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.712 0.256 . . . . 0.0 110.639 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 6.6 p -153.0 123.85 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.984 0.421 . . . . 0.0 110.773 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -132.35 178.2 7.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.021 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -146.62 150.01 38.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.051 -178.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.67 -171.44 0.32 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.966 2.444 . . . . 0.0 111.867 175.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 40.6 tp -141.09 118.58 11.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.892 0.377 . . . . 0.0 111.343 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -88.98 121.38 31.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.723 175.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.8 mt -128.61 164.92 21.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.855 0.359 . . . . 0.0 111.19 -176.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.84 168.38 13.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.677 174.006 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -160.57 117.56 2.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.139 0.495 . . . . 0.0 110.448 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -74.54 144.24 44.14 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.987 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 7.1 p80 . . . . . 0 C--N 1.319 -0.724 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 175.925 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 3.7 mp -92.84 97.07 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.42 102.67 14.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.138 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.57 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 18.4 mm -84.17 154.6 3.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 176.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -72.27 168.09 19.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.11 0.481 . . . . 0.0 111.146 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.438 ' HG2' HG22 ' A' ' 7' ' ' THR . 40.4 ttm180 69.7 -76.17 0.06 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.679 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.438 HG22 ' HG2' ' A' ' 6' ' ' ARG . 11.1 t -161.57 20.02 0.11 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -170.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.57 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 22.3 t -120.3 145.76 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 121.833 -0.542 . . . . 0.0 110.514 -177.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -154.54 151.73 29.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 173.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 mp -126.07 139.34 51.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 146.53 53.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.191 0.52 . . . . 0.0 111.429 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.53 -43.02 99.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.922 -171.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -87.38 10.33 17.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.874 0.368 . . . . 0.0 111.572 -173.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -89.61 -0.45 57.53 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 120.778 0.323 . . . . 0.0 111.215 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.9 mt -80.78 145.72 31.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -93.4 114.27 26.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.187 174.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -109.86 114.85 48.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.115 -176.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.89 149.74 31.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.059 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.2 150.55 20.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.158 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.8 mt -104.31 129.6 56.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.768 0.318 . . . . 0.0 110.351 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.4 -177.812 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.658 0 CA-C-O 121.033 0.444 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 80' ' ' GLN . 46.9 mm -100.33 129.54 50.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.398 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -118.87 112.39 19.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.005 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.455 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.1 pt? -125.63 149.91 48.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.943 0.401 . . . . 0.0 110.679 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -127.12 140.27 52.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.027 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -134.68 112.75 11.04 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.5 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.517 ' HB3' HG23 ' A' ' 69' ' ' VAL . 5.9 p-10 -112.02 162.07 15.78 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.967 0.413 . . . . 0.0 110.76 -178.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 68' ' ' GLY . 35.1 mt -56.22 -44.47 79.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.508 -179.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -68.34 -13.25 62.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.835 -173.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.74 -5.39 55.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.954 0.407 . . . . 0.0 111.4 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -155.67 -163.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.276 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.52 61.17 0.56 Allowed Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.455 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 86.0 mt -66.59 143.91 98.38 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.598 0.237 . . . . 0.0 110.941 -176.426 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 24.9 Cg_exo -62.96 143.35 90.97 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.484 2.123 . . . . 0.0 111.561 177.07 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.466 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 13.8 pt-20 -59.66 -29.25 67.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.363 -176.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.47 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 89.5 m-85 -62.32 -34.22 76.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.79 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.571 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 25.8 m-85 -81.57 -42.79 19.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.708 176.438 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.466 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 12.1 tmtt? -56.83 -43.56 81.19 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.716 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -63.95 -45.89 87.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.714 0.292 . . . . 0.0 111.264 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.524 ' HD3' ' O ' ' A' ' 98' ' ' LEU . 72.7 mtt180 -66.54 -24.71 66.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.672 -177.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 52' ' ' TYR . 95.5 mt -61.01 -31.52 71.13 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.021 0.439 . . . . 0.0 111.059 177.073 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -91.35 -22.3 20.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.375 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.519 ' OG1' ' HA ' ' A' ' 55' ' ' ARG . 34.7 p -86.78 -39.3 16.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.74 0.305 . . . . 0.0 111.441 -177.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.533 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . . . -95.9 87.65 4.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.984 0.421 . . . . 0.0 110.933 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 m -60.73 130.96 49.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.507 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.7 158.71 43.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.419 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -69.22 0.44 4.85 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.811 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.488 HD12 HG21 ' A' ' 94' ' ' VAL . 93.2 mt -104.75 -8.3 18.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.061 0.458 . . . . 0.0 110.846 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.3 mm -89.59 134.69 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.346 -178.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.413 ' OG ' HD13 ' A' ' 71' ' ' ILE . 28.0 m -90.8 -63.76 1.22 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.65 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -158.77 -75.72 0.08 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -177.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -99.47 60.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.304 0.573 . . . . 0.0 111.708 -169.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.437 ' O ' HG13 ' A' ' 43' ' ' ILE . . . 72.41 38.59 58.1 Favored Glycine 0 C--N 1.322 -0.202 0 CA-C-N 115.393 -0.821 . . . . 0.0 113.667 171.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.517 HG23 ' HB3' ' A' ' 42' ' ' ASP . 9.0 p -120.96 142.29 37.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 173.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.5 mp -112.41 117.4 55.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.979 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.413 HD13 ' OG ' ' A' ' 65' ' ' SER . 1.8 mp -107.91 121.21 60.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.856 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.1 mp -115.36 131.81 66.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 37' ' ' ILE . 14.6 pttp -119.58 131.46 55.52 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 171.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.708 ' HB2' ' HB2' ' A' ' 87' ' ' ALA . . . -115.7 133.01 56.46 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.37 -176.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -153.57 104.12 2.7 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.659 0.742 . . . . 0.0 109.588 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.514 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 40.1 tt0 -112.11 -79.18 0.58 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.846 178.25 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.514 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 68.0 m-85 -120.23 -84.86 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.422 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -154.49 4.81 0.25 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.696 -176.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 m -98.23 97.23 8.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.856 0.36 . . . . 0.0 110.783 -176.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.484 ' HB3' HD11 ' A' ' 37' ' ' ILE . 26.0 mp0 -56.31 -41.93 76.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.772 -175.131 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 44.2 tt0 -59.03 -55.26 37.47 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -175.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 pp -72.05 -31.02 65.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.769 0.318 . . . . 0.0 110.279 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.64 -41.03 98.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.929 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -60.04 -54.51 45.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.464 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 81' ' ' GLU . 16.9 mm-40 -57.69 -38.77 75.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.408 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.526 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -65.37 -39.37 92.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.889 177.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.708 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . . . -62.7 -37.21 85.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.97 0.414 . . . . 0.0 110.376 177.22 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.672 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 74.7 mt -64.47 -48.61 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.181 175.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.33 -34.8 74.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 177.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.526 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 7.6 mpt_? -58.32 -50.93 71.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.319 176.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 4.0 pp -68.05 -34.13 75.88 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.463 -176.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 88' ' ' ILE . 85.2 t -60.15 -44.38 95.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.697 175.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.517 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -63.95 -39.66 94.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.643 178.001 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.488 HG21 HD12 ' A' ' 63' ' ' LEU . 71.2 t -60.66 -41.82 89.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.502 177.082 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 91' ' ' LEU . 91.4 mt -55.42 -41.65 63.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.716 176.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -71.15 -28.62 64.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.18 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 93' ' ' ALA . 87.3 mt-10 -70.24 -37.79 75.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.989 0.423 . . . . 0.0 110.573 177.607 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.533 ' HG ' ' HB3' ' A' ' 59' ' ' ALA . 11.1 mp -80.01 -38.43 32.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.245 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -89.83 18.57 5.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.465 0.65 . . . . 0.0 110.679 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.579 -178.734 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 61.0 m . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.765 0.316 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.1 m -164.21 95.51 0.76 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.208 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 128' ' ' VAL . 5.8 p -159.28 86.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.789 0.804 . . . . 0.0 111.513 177.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -159.91 114.12 2.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.782 173.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -171.66 89.12 0.11 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.325 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.3 tp -144.45 87.79 1.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.143 0.497 . . . . 0.0 111.29 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -162.41 98.41 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.572 171.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -158.53 124.07 1.34 Allowed Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -152.18 141.77 21.77 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 26.9 m -70.95 137.1 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.692 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.675 ' O ' ' HD2' ' A' ' 136' ' ' ARG . 1.5 ppt_? -154.69 133.0 11.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.612 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -171.95 117.6 0.42 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.988 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -85.94 149.75 9.62 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.625 2.217 . . . . 0.0 111.673 174.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.6 mp -121.1 105.27 10.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.09 0.471 . . . . 0.0 110.897 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -97.99 7.19 46.72 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.46 103.08 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.403 -176.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -167.17 111.42 0.72 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.502 175.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -118.83 100.19 7.24 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.629 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -72.93 83.27 1.22 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.309 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 38.2 t60 . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.916 -175.647 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.5 ttp . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 57.7 mt -81.85 119.96 32.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.271 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.42 122.66 32.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.873 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.694 ' HB ' HG13 ' A' ' 8' ' ' VAL . 24.2 mm -101.21 166.43 2.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.541 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 42.2 m -55.48 148.6 15.13 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.541 ' HB2' ' O ' ' A' ' 5' ' ' SER . 8.5 mpt_? 71.05 -164.49 0.14 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -167.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.9 t -90.45 5.16 48.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.849 0.356 . . . . 0.0 111.714 -176.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.694 HG13 ' HB ' ' A' ' 4' ' ' ILE . 9.1 p -78.48 144.75 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.014 0.435 . . . . 0.0 110.719 -178.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -147.12 155.9 42.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.762 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.0 mt -125.69 135.39 64.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.162 -178.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.495 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -81.6 136.84 35.55 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.267 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -66.9 -20.04 65.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.084 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -71.75 -23.11 61.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.447 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.495 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 46.3 mt-10 -78.08 -16.14 58.28 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.032 -179.045 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -83.04 124.43 30.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.096 0.474 . . . . 0.0 111.031 -177.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -83.1 103.62 12.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.462 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 35.5 mm -98.16 130.42 46.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.198 -177.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.84 149.89 50.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 -178.003 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.27 129.71 44.55 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 38' ' ' HIS . 36.9 mt -104.45 126.45 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.066 169.184 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mm -99.15 127.01 52.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-O 121.071 0.462 . . . . 0.0 110.633 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.59 ' HB2' HD11 ' A' ' 20' ' ' ILE . 45.1 t-80 -103.62 125.57 50.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.073 177.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.747 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.5 pt? -132.5 144.77 50.67 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.495 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 39.2 ptt85 -138.7 154.61 48.59 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.963 178.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -152.56 118.49 5.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.725 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.98 81.43 8.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.729 0.775 . . . . 0.0 110.756 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.563 HG23 ' HB2' ' A' ' 48' ' ' LEU . 54.6 mt -56.01 -42.45 71.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.964 178.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.605 ' HB2' ' HA3' ' A' ' 68' ' ' GLY . 41.0 ttt85 -56.48 -24.85 48.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.26 178.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.0 -54.17 3.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.652 0.263 . . . . 0.0 111.345 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -143.19 149.46 38.03 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-O 120.681 0.277 . . . . 0.0 111.518 -175.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.39 -95.42 0.58 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.896 -0.668 . . . . 0.0 114.318 167.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.563 ' HB2' HG23 ' A' ' 43' ' ' ILE . 95.4 mt -75.89 155.39 84.86 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -171.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.581 ' HD3' HG21 ' A' ' 8' ' ' VAL . 31.3 Cg_exo -60.76 153.18 64.36 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.97 2.447 . . . . 0.0 111.718 176.039 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.577 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 43.9 mt-10 -68.84 -18.81 64.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.88 -174.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.448 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 44.6 m-85 -57.97 -53.47 57.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.791 0.329 . . . . 0.0 110.281 173.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.46 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 54.5 m-85 -65.11 -45.02 86.86 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.492 175.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.577 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 39.6 ttmt -51.06 -52.3 44.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.967 -176.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -61.7 -41.78 98.06 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -176.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 22.7 mmt180 -67.76 -32.23 72.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.713 0.292 . . . . 0.0 111.199 -178.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.471 HD23 ' HG ' ' A' ' 98' ' ' LEU . 66.0 mt -66.08 -34.46 78.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 57' ' ' LEU . 4.3 mm? -82.96 -44.21 15.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.6 p -66.92 -37.52 84.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.377 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.39 83.41 2.82 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 174.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.7 m -69.59 92.12 0.63 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.634 0.73 . . . . 0.0 110.305 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' HIS . . . . . 0.402 ' C ' ' H ' ' A' ' 63' ' ' LEU . 1.9 t60 -85.12 15.31 4.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.616 -175.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.0 t60 71.9 -33.99 0.29 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.968 0.907 . . . . 0.0 111.65 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.402 ' H ' ' C ' ' A' ' 61' ' ' HIS . 92.7 mt -63.37 -25.4 68.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.275 0.559 . . . . 0.0 110.376 174.325 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.0 mm -75.09 124.71 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 169.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.456 ' HB2' HG13 ' A' ' 69' ' ' VAL . 16.1 m -74.79 -64.21 1.09 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -168.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -149.25 -81.64 0.12 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.88 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -105.39 61.73 0.68 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.553 0.692 . . . . 0.0 110.878 -172.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.605 ' HA3' ' HB2' ' A' ' 44' ' ' ARG . . . 75.37 31.53 56.82 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.241 -0.891 . . . . 0.0 113.481 174.372 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.456 HG13 ' HB2' ' A' ' 65' ' ' SER . 12.0 p -125.59 144.07 36.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.495 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 33.3 pt -109.54 129.69 63.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.905 0.383 . . . . 0.0 111.135 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.409 HG13 ' HB3' ' A' ' 40' ' ' ARG . 1.7 mp -122.98 117.04 50.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.747 ' HB ' HD21 ' A' ' 39' ' ' LEU . 4.7 mp -114.45 147.86 17.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.134 -177.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -119.14 151.6 38.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.85 0.357 . . . . 0.0 110.164 173.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.23 137.2 12.52 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.933 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -166.84 104.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.608 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -109.61 -29.35 8.41 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.144 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -155.34 -173.57 4.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -69.77 -28.73 66.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.624 0.25 . . . . 0.0 110.385 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.4 m -59.64 109.5 0.93 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.772 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.507 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 23.8 mp0 -61.41 -41.56 97.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.396 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -54.6 -50.71 67.39 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.488 -176.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.663 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -68.68 -33.24 73.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.68 -178.22 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.84 -35.01 74.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.757 0.313 . . . . 0.0 110.466 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 33.6 mtp-105 -68.28 -48.01 66.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.245 175.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.663 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -64.46 -34.21 77.67 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.644 -177.416 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.42 ' O ' ' HD2' ' A' ' 90' ' ' ARG . . . -67.79 -40.22 83.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.518 177.096 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.473 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -61.43 -42.94 99.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 177.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.702 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.2 mt -61.38 -49.56 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.742 176.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.4 -35.56 79.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.197 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.493 ' O ' HG23 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -63.32 -40.14 96.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.638 178.04 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.5 pp -72.81 -34.13 66.66 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.155 -179.201 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 88' ' ' ILE . 95.4 t -62.63 -37.25 78.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.113 0.483 . . . . 0.0 109.808 174.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -61.79 -41.19 97.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.037 176.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.549 ' HA ' ' OE1' ' A' ' 97' ' ' GLU . 44.0 t -64.38 -45.31 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.497 177.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 86.9 mt -55.06 -44.96 76.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.273 0.559 . . . . 0.0 110.375 175.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -62.01 -30.29 70.85 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.495 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.549 ' OE1' ' HA ' ' A' ' 94' ' ' VAL . 53.4 mt-10 -66.56 -44.06 83.33 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.878 0.371 . . . . 0.0 111.164 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.471 ' HG ' HD23 ' A' ' 56' ' ' LEU . 4.4 mm? -67.77 -34.15 76.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.888 -174.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 p -84.05 -11.16 57.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.761 0.315 . . . . 0.0 111.54 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 175.988 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 121.084 0.468 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 32.5 t -120.68 128.1 52.66 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 5.9 m -133.98 114.37 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -172.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -163.19 82.49 0.48 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.069 172.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -89.06 101.04 13.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.442 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.0 tt -156.16 126.88 6.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.148 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -150.79 173.95 13.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.921 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 159.76 100.85 0.17 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.263 -0.97 . . . . 0.0 113.02 178.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -163.05 154.51 17.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.78 0.324 . . . . 0.0 110.372 176.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 11.5 p -143.35 143.5 24.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -119.97 171.29 8.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.996 0.427 . . . . 0.0 111.471 -177.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -117.27 137.68 24.23 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.493 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.29 148.04 48.57 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.59 2.193 . . . . 0.0 111.864 175.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 8.8 tt -91.6 133.19 35.77 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -178.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -114.34 146.04 41.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.555 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.2 pp -160.76 150.53 17.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.55 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -136.22 104.74 5.75 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 171.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -117.16 98.37 6.41 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.118 0.485 . . . . 0.0 110.293 -175.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -106.87 157.62 17.62 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.449 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 . . . . . 0 C--N 1.323 -0.574 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.925 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.3 ptm . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 3.3 mp -89.51 124.23 42.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.63 127.43 47.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.043 -178.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.783 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 27.0 mm -109.3 165.5 5.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.443 ' N ' HG22 ' A' ' 4' ' ' ILE . 9.9 p -64.57 170.6 3.88 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 120.785 0.326 . . . . 0.0 111.592 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 69.89 -78.87 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.946 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -173.16 21.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.055 0.455 . . . . 0.0 110.728 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.783 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 25.2 t -91.34 144.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -176.29 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 m -142.91 150.87 40.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.766 0.317 . . . . 0.0 110.609 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 66.9 mt -127.38 143.98 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.757 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.542 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -66.08 138.68 57.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.149 0.499 . . . . 0.0 111.092 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 24.2 t70 -65.01 -27.49 68.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.363 -177.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -81.44 -3.71 53.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.786 -176.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.542 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 52.9 mm-40 -84.06 -48.74 9.58 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -177.304 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.41 HD12 HG12 ' A' ' 2' ' ' ILE . 66.0 mt -77.02 145.96 37.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -175.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 44.0 mt-10 -79.66 97.21 6.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.961 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.4 mm -88.73 112.2 23.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.96 151.33 48.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.921 0.391 . . . . 0.0 111.214 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.21 150.66 27.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.044 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.648 HG12 ' HB2' ' A' ' 38' ' ' HIS . 26.2 mt -85.99 94.88 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.29 0.567 . . . . 0.0 112.33 -175.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 . . . . . 0 C--N 1.313 -1.004 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 166.737 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.527 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 32.5 mm -101.66 128.92 53.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.253 0.549 . . . . 0.0 111.94 -174.377 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.648 ' HB2' HG12 ' A' ' 20' ' ' ILE . 46.9 t-80 -122.71 111.7 17.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.648 175.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.531 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.7 pt? -124.86 149.91 47.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.042 0.448 . . . . 0.0 110.372 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -103.04 146.0 29.03 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.109 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.44 ' HB3' ' CG1' ' A' ' 70' ' ' ILE . 73.4 t80 -145.81 103.81 3.8 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 172.404 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -111.91 161.03 16.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.047 0.451 . . . . 0.0 111.345 -175.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.608 HG21 HD21 ' A' ' 57' ' ' LEU . 3.6 mp -76.11 -42.61 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.099 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.7 ttt85 -59.67 -25.33 64.65 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.347 -171.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.17 -28.83 68.25 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.7 0.286 . . . . 0.0 110.956 175.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.0 t 65.6 -174.24 0.18 Allowed 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 123.662 0.785 . . . . 0.0 111.078 178.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.1 -43.94 1.47 Allowed Glycine 0 C--N 1.314 -0.656 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.232 -176.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.52 147.91 82.46 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.568 -0.316 . . . . 0.0 110.38 176.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.496 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 19.6 Cg_endo -62.32 159.16 36.7 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.677 2.252 . . . . 0.0 111.55 175.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.604 ' CD ' ' H ' ' A' ' 50' ' ' GLU . 3.6 mp0 -50.78 -46.31 59.47 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.302 0.376 . . . . 0.0 110.132 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -50.32 -42.0 52.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.391 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.407 ' CE2' HG21 ' A' ' 99' ' ' THR . 16.3 m-85 -82.83 -49.86 9.25 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 49' ' ' PRO . 55.2 pttt -70.69 -32.45 69.69 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -172.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -64.1 -35.27 80.22 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.59 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.493 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 8.8 mmt180 -62.58 -25.05 67.88 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 176.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.474 HD13 HG13 ' A' ' 43' ' ' ILE . 81.7 mt -71.02 -28.8 64.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.821 0.343 . . . . 0.0 111.124 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.608 HD21 HG21 ' A' ' 43' ' ' ILE . 3.4 mm? -90.3 -37.59 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.837 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.493 ' OG1' ' HA ' ' A' ' 55' ' ' ARG . 7.4 p -73.93 -45.61 49.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.685 -177.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.11 79.8 7.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.154 0.502 . . . . 0.0 110.457 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.7 m -68.96 89.37 0.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.733 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.51 165.3 22.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.168 176.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -73.53 -23.53 60.02 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 173.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.01 -23.46 67.46 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.742 174.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.499 HD13 HG22 ' A' ' 70' ' ' ILE . 24.2 mm -70.59 124.27 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 169.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.513 ' HB2' HD13 ' A' ' 71' ' ' ILE . 12.0 m -106.19 -77.54 0.59 Allowed 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -163.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -76.53 -71.08 0.41 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.016 0.436 . . . . 0.0 110.569 -172.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -143.84 -68.67 0.33 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.462 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -121.56 36.61 3.2 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.399 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 p -145.16 144.26 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.499 HG22 HD13 ' A' ' 64' ' ' ILE . 43.5 pt -100.51 133.97 41.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.063 0.459 . . . . 0.0 109.884 174.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.513 HD13 ' HB2' ' A' ' 65' ' ' SER . 1.7 mp -105.94 111.97 37.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 174.323 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.521 ' HB ' HD21 ' A' ' 39' ' ' LEU . 49.9 mm -98.87 116.4 41.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.541 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -101.68 102.95 13.71 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.685 0.755 . . . . 0.0 110.39 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.527 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -98.37 124.47 43.05 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.394 -175.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -153.34 102.11 2.58 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.121 -176.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -104.21 -67.27 0.91 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.737 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -178.46 85.14 0.02 OUTLIER 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.718 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.412 ' HG2' ' H ' ' A' ' 79' ' ' SER . 62.5 ttt180 62.9 176.09 0.15 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.966 176.18 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.412 ' H ' ' HG2' ' A' ' 78' ' ' ARG . 16.2 m 69.67 111.13 0.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.541 0.686 . . . . 0.0 111.673 175.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -66.17 -26.82 67.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.043 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -58.87 -56.38 22.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.797 0.332 . . . . 0.0 111.856 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 pp -76.07 -36.04 59.16 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.258 0.551 . . . . 0.0 110.6 -174.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.514 ' HB3' HG12 ' A' ' 37' ' ' ILE . 33.1 m-20 -64.9 -34.47 78.47 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.286 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -66.91 -44.17 81.43 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.315 175.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.34 -41.42 97.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.61 -44.39 97.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.273 176.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.432 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . . . -58.24 -49.11 78.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.862 177.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.527 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 85.4 mt -59.65 -52.37 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.886 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.83 -38.72 79.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.689 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 94' ' ' VAL . 26.3 mmm180 -73.16 -35.95 66.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.758 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 2.6 pp -73.95 -36.05 64.59 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.365 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.569 HG12 ' HE2' ' A' ' 96' ' ' LYS . 58.7 t -68.72 -32.2 53.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 176.576 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.529 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . . . -58.65 -41.3 85.73 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.759 175.018 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 90' ' ' ARG . 16.8 t -58.51 -40.21 77.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.11 0.481 . . . . 0.0 110.41 176.156 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 92' ' ' VAL . 65.5 mt -58.86 -36.18 59.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.62 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.569 ' HE2' HG12 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -71.62 -36.71 70.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.936 176.597 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.39 -35.15 79.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.798 0.333 . . . . 0.0 111.685 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.476 ' O ' ' HD2' ' A' ' 55' ' ' ARG . 10.9 mp -79.41 -37.31 37.49 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -176.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.407 HG21 ' CE2' ' A' ' 52' ' ' TYR . 24.7 p -94.96 -33.69 12.66 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -175.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.594 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.0 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.8 t . . . . . 0 C--O 1.234 0.266 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.8 m -151.22 119.3 6.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.224 0.535 . . . . 0.0 111.554 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 13.4 p -130.19 142.02 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -81.33 134.81 35.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.49 0.662 . . . . 0.0 111.746 -174.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -141.59 96.98 3.07 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.003 175.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.74 -66.65 0.09 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.62 -174.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -94.69 142.03 27.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.84 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 154.32 33.35 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.543 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.431 ' O ' ' HD2' ' A' ' 136' ' ' ARG . 4.4 mppt? -114.07 35.78 3.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.028 0.442 . . . . 0.0 110.684 177.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 3.2 p -87.91 104.01 14.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.518 0.675 . . . . 0.0 110.217 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' A' ' 134' ' ' LYS . 6.2 mpt_? -94.34 104.04 16.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.515 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -155.0 77.83 4.95 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-O 120.997 0.427 . . . . 0.0 110.368 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -85.82 129.59 3.53 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.353 2.702 . . . . 0.0 111.405 176.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' A' ' 141' ' ' LEU . 0.9 OUTLIER -77.86 90.23 4.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.325 0.584 . . . . 0.0 109.747 -179.456 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -77.91 76.83 4.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.888 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.555 ' HB2' HD22 ' A' ' 139' ' ' LEU . 4.9 tt -83.79 97.15 9.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.537 -170.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 141' ' ' LEU . 24.9 tt0 176.39 144.72 0.08 Allowed 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.961 0.788 . . . . 0.0 110.016 172.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -120.98 58.66 0.95 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.862 0.839 . . . . 0.0 109.27 173.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -82.78 83.54 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.225 -176.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 20.7 m80 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.63 178.938 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.612 ' HA ' ' HB2' ' A' ' 12' ' ' ASP . 26.6 ttt . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.587 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 43.6 mm -87.63 96.22 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.3 107.02 19.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.083 0.468 . . . . 0.0 110.334 179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 5' ' ' SER . 27.3 mm -92.98 164.87 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.437 ' N ' HG22 ' A' ' 4' ' ' ILE . 8.0 p -65.32 158.52 26.23 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 174.453 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.433 ' HG2' ' H ' ' A' ' 7' ' ' THR . 15.1 ttm180 67.91 -164.5 0.2 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -177.171 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.433 ' H ' ' HG2' ' A' ' 6' ' ' ARG . 12.4 t -83.81 26.94 0.67 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.265 0.555 . . . . 0.0 111.785 -174.492 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.7 t -105.59 124.63 60.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 O-C-N 121.997 -0.439 . . . . 0.0 111.109 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 m -141.67 155.04 45.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.185 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.587 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 58.3 mt -135.53 149.17 28.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.501 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -63.43 145.66 55.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 110.857 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.612 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 22.4 t70 -65.19 -45.64 83.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.86 -173.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -79.61 0.29 30.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.564 -173.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.501 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 27.5 mm-40 -81.0 -11.76 59.5 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -174.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.9 mt -74.52 157.68 35.08 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 176.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.761 ' HB2' ' HB3' ' A' ' 40' ' ' ARG . 38.9 mt-10 -87.92 97.49 10.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.15 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.7 mm -90.36 125.82 43.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.056 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.525 ' O ' ' HB3' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -128.42 148.67 50.72 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.054 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.51 136.32 32.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.242 177.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 55.5 mt -75.26 127.27 36.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.219 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.898 176.706 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.692 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.8 mm -98.76 114.7 37.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 CA-C-O 121.699 0.762 . . . . 0.0 111.246 -174.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.525 ' HB3' ' O ' ' A' ' 18' ' ' THR . 54.0 t-80 -113.73 102.74 10.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.089 174.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.71 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.5 pt? -105.64 147.88 27.98 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.389 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.761 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 30.6 ttt180 -118.24 111.68 19.11 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.98 -176.446 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.477 ' HB3' ' CG1' ' A' ' 70' ' ' ILE . 65.2 t80 -114.45 113.76 24.91 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -106.16 145.88 30.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.089 -174.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.709 HG13 HD13 ' A' ' 56' ' ' LEU . 1.7 mp -71.82 -44.17 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.994 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 44' ' ' ARG . 21.4 ttt180 -68.38 -18.82 64.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.999 -176.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.11 -19.88 63.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.617 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t 66.06 174.7 0.23 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.981 0.896 . . . . 0.0 111.904 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.51 -43.09 1.3 Allowed Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.467 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.59 HD12 HD11 ' A' ' 56' ' ' LEU . 84.4 mt -76.82 154.4 83.19 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.718 0.294 . . . . 0.0 111.363 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -62.8 166.59 13.59 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.248 2.632 . . . . 0.0 112.419 175.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 68.5 mm-40 -57.75 -52.98 63.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.27 -174.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.42 -41.81 90.4 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -175.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.648 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 98.6 m-85 -69.35 -37.6 77.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.761 0.315 . . . . 0.0 110.373 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.521 ' HA ' HD12 ' A' ' 56' ' ' LEU . 34.3 ttpt -63.68 -40.84 97.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.605 176.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 98.0 mt-30 -57.05 -50.14 73.66 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.756 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -59.99 -36.25 76.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.398 -177.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.709 HD13 HG13 ' A' ' 43' ' ' ILE . 93.9 mt -56.78 -34.65 67.84 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -174.001 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.504 HD21 HG21 ' A' ' 43' ' ' ILE . 3.2 mm? -89.68 -31.77 17.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.847 0.356 . . . . 0.0 111.321 -178.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.8 p -82.54 -39.06 22.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -174.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.434 ' HB3' HD23 ' A' ' 98' ' ' LEU . . . -81.97 112.05 18.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.308 0.575 . . . . 0.0 111.237 -174.161 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.5 p -80.28 70.1 6.86 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.994 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -96.93 130.1 44.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -71.94 71.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.954 0.883 . . . . 0.0 112.514 -173.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.547 HD13 HG22 ' A' ' 94' ' ' VAL . 72.7 mt -146.36 -30.97 0.37 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 113.59 -1.641 . . . . 0.0 108.909 174.06 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.581 ' HA ' HG22 ' A' ' 70' ' ' ILE . 18.2 mm -61.37 136.75 24.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 170.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 m -72.43 -59.54 2.68 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.907 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -169.79 -63.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.761 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -72.21 -80.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.971 0.415 . . . . 0.0 111.269 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -156.83 37.34 0.57 Allowed Glycine 0 C--N 1.316 -0.532 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.866 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.9 148.17 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.581 HG22 ' HA ' ' A' ' 64' ' ' ILE . 31.0 pt -110.61 135.13 50.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.026 0.441 . . . . 0.0 110.505 174.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mp -114.97 121.82 67.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.987 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.71 ' HB ' HD21 ' A' ' 39' ' ' LEU . 3.5 mp -112.88 123.9 69.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.08 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -99.76 108.12 20.36 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.475 0.655 . . . . 0.0 110.395 173.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.46 124.7 50.62 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.629 -1.169 . . . . 0.0 110.065 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -157.6 104.94 2.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.223 0.535 . . . . 0.0 111.859 -176.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.694 ' HB2' HD11 ' A' ' 82' ' ' LEU . 2.8 tm-20 -87.25 -66.48 0.91 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 165.057 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -168.99 -85.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.268 169.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.46 -6.49 10.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.68 0.276 . . . . 0.0 111.695 -175.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -75.64 81.59 2.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.168 0.509 . . . . 0.0 109.867 175.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -32.63 64.6 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.382 -177.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.12 -54.96 38.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.208 -176.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 76' ' ' GLU . 1.6 pp -69.41 -32.75 71.94 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.208 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -59.47 -40.73 87.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.146 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.462 ' O ' HG13 ' A' ' 88' ' ' ILE . 57.1 mtm180 -75.7 -44.69 40.88 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.962 177.681 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -57.31 -45.4 84.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.657 0.265 . . . . 0.0 111.464 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.5 84.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.49 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.98 78.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.546 177.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.589 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.7 mt -61.23 -49.78 83.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.352 177.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.45 -40.36 78.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.878 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.65 HH11 HG23 ' A' ' 72' ' ' ILE . 42.3 ttm180 -67.01 -42.74 84.46 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.026 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 2.9 pp -69.08 -36.95 78.17 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.356 -178.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.555 ' HA ' HD12 ' A' ' 95' ' ' ILE . 98.8 t -63.69 -38.28 81.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 174.262 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.548 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -62.2 -42.6 99.44 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.411 175.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 90' ' ' ARG . 69.7 t -55.47 -43.23 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 92' ' ' VAL . 60.1 mt -57.8 -36.24 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.218 177.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -79.91 -41.17 26.65 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.754 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 17.4 mm-40 -50.37 -42.17 52.95 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -174.21 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.595 HD22 HD23 ' A' ' 56' ' ' LEU . 9.1 mp -87.91 -8.49 55.7 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.946 -172.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.2 m -118.59 -48.55 2.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.066 0.46 . . . . 0.0 111.249 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.937 -178.3 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.907 0.384 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 45.2 m -142.57 136.97 29.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 4.2 p -134.19 108.75 11.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.41 0.624 . . . . 0.0 109.952 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -130.7 133.3 45.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.023 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -144.74 95.63 2.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.622 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -103.93 98.93 8.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.276 -175.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -106.99 128.06 54.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.497 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -165.49 109.78 0.38 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.812 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 149.6 22.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.94 0.4 . . . . 0.0 110.241 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.29 131.67 41.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.371 -176.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -121.41 141.13 51.28 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 173.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -153.53 102.64 2.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.865 -172.202 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -95.9 165.65 1.34 Allowed 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.419 2.746 . . . . 0.0 111.886 172.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 57.1 tp -156.21 127.38 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.335 -0.228 . . . . 0.0 111.242 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -160.13 137.25 9.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' LEU . . . . . 0.662 ' H ' HD23 ' A' ' 141' ' ' LEU . 2.5 pt? -119.64 172.6 7.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.676 0.274 . . . . 0.0 110.678 -176.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.68 144.35 43.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.876 0.37 . . . . 0.0 110.504 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -171.03 128.42 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.878 0.371 . . . . 0.0 110.576 177.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -154.73 156.76 36.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 83.0 t60 . . . . . 0 C--N 1.318 -0.764 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.609 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.519 ' HA ' ' HB2' ' A' ' 12' ' ' ASP . 23.7 ttt . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.729 HD11 HD11 ' A' ' 15' ' ' LEU . 48.3 mm -99.95 115.79 41.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.6 0.238 . . . . 0.0 110.793 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.46 121.73 45.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.55 177.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 5' ' ' SER . 28.0 mm -107.02 165.38 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 1.3 p -59.77 151.23 25.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 174.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.536 ' HB2' ' O ' ' A' ' 5' ' ' SER . 12.2 mpt_? 70.73 -172.84 0.17 Allowed 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.647 0.592 . . . . 0.0 109.727 -168.195 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 t -86.89 47.94 1.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.911 0.862 . . . . 0.0 110.403 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.7 t -111.96 113.15 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.562 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 m -123.51 153.92 39.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.021 0.438 . . . . 0.0 110.409 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.588 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 72.0 mt -131.47 137.81 54.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.527 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -61.47 148.79 40.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.259 0.552 . . . . 0.0 111.527 -175.681 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.519 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 28.5 t70 -68.28 -29.77 68.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.357 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -83.49 -13.31 54.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.022 -179.121 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.527 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 21.4 mt-10 -73.97 -8.84 57.62 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.711 0.291 . . . . 0.0 111.42 -179.045 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.729 HD11 HD11 ' A' ' 2' ' ' ILE . 98.4 mt -78.0 129.23 35.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.717 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -89.23 109.63 20.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.4 0.619 . . . . 0.0 110.382 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.4 mm -102.01 123.29 55.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.531 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.85 149.85 34.44 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.77 140.73 29.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.952 0.406 . . . . 0.0 110.504 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.467 HD11 ' HB2' ' A' ' 38' ' ' HIS . 39.7 mm -74.46 127.59 36.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.918 177.477 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 . . . . . 0 C--N 1.317 -0.826 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.559 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.666 0 CA-C-O 121.168 0.509 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.579 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 49.5 mm -101.18 117.7 46.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.915 -175.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.467 ' HB2' HD11 ' A' ' 20' ' ' ILE . 14.5 t-80 -114.56 105.57 13.24 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.138 0.494 . . . . 0.0 109.771 174.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.587 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.0 pt? -106.15 150.06 26.2 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.397 -177.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -124.62 107.64 11.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.469 0.652 . . . . 0.0 110.041 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -97.62 104.44 16.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.895 -177.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' A' ' 69' ' ' VAL . 28.3 t0 -105.18 126.84 52.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -177.257 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.701 HG21 ' HG3' ' A' ' 53' ' ' LYS . 56.9 mt -56.54 -43.31 77.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.436 177.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -65.32 -14.66 61.29 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.014 -174.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.24 -14.62 58.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 0.0 111.7 -177.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 t -135.84 -170.01 2.53 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -123.61 69.98 0.45 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.915 -0.659 . . . . 0.0 111.95 -179.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.4 mt -75.23 153.85 86.24 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.409 ' HB2' ' HD1' ' A' ' 52' ' ' TYR . 50.8 Cg_exo -55.43 141.98 81.18 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.499 2.132 . . . . 0.0 112.117 178.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.592 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 6.9 tp10 -52.55 -41.19 63.31 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.737 -174.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -54.18 -44.68 71.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.551 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.409 ' HD1' ' HB2' ' A' ' 49' ' ' PRO . 62.0 m-85 -66.49 -42.4 87.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.082 -177.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.701 ' HG3' HG21 ' A' ' 43' ' ' ILE . 27.0 ttpt -62.54 -38.02 88.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.342 -178.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 33.4 mm-40 -55.84 -49.96 71.87 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.784 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 55' ' ' ARG . 23.8 mmt180 -67.32 -39.51 85.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.38 -28.4 67.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.606 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.2 mt -82.72 -29.32 29.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.62 0.248 . . . . 0.0 111.651 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.6 p -84.96 -43.29 14.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.13 122.62 16.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.128 0.49 . . . . 0.0 111.59 -177.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.2 m -89.32 52.83 2.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.64 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -84.5 126.85 33.66 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -54.57 -27.95 42.58 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -173.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 71.4 mt -57.74 -26.01 61.22 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.496 HD13 HG12 ' A' ' 70' ' ' ILE . 42.3 mm -73.46 129.59 36.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 175.035 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.755 ' HB3' HG13 ' A' ' 69' ' ' VAL . 32.4 t -84.87 -51.04 7.03 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -170.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -149.76 -83.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.389 -175.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.84 -84.88 0.11 Allowed 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.331 0.586 . . . . 0.0 110.396 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.457 ' O ' HG13 ' A' ' 43' ' ' ILE . . . -137.32 36.22 1.98 Allowed Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.521 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.755 HG13 ' HB3' ' A' ' 65' ' ' SER . 7.1 p -111.08 141.95 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.496 HG12 HD13 ' A' ' 64' ' ' ILE . 52.3 mt -109.79 124.05 66.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.845 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.524 HD13 ' HB2' ' A' ' 65' ' ' SER . 1.4 mp -103.2 115.39 45.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.584 0.707 . . . . 0.0 110.195 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.412 ' HB ' HD21 ' A' ' 39' ' ' LEU . 44.6 mm -122.23 128.12 75.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.051 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -98.16 122.7 41.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.323 0.582 . . . . 0.0 110.526 171.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.579 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -106.05 122.18 45.64 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.559 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -156.48 104.0 2.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.597 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -93.1 -67.52 0.85 Allowed 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 173.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 73.6 t80 175.93 -36.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.003 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -152.66 166.94 30.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.245 -177.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.427 ' HB2' HD23 ' A' ' 82' ' ' LEU . 50.3 m 60.47 88.95 0.07 Allowed 'General case' 0 C--O 1.233 0.232 0 O-C-N 124.031 0.832 . . . . 0.0 112.008 176.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.501 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 0.8 OUTLIER -60.39 -28.71 68.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.863 -178.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -50.79 -53.85 28.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.282 176.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.427 HD23 ' HB2' ' A' ' 79' ' ' SER . 2.5 pp -73.64 -27.83 61.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.067 0.461 . . . . 0.0 110.182 -176.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.462 ' OD1' ' HA ' ' A' ' 80' ' ' GLN . 10.8 m120 -60.49 -39.44 87.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.16 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 38.3 mtm180 -64.41 -49.61 70.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.354 178.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -54.74 -43.93 73.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.221 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 90' ' ' ARG . . . -63.64 -44.12 94.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.129 178.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . . . -59.86 -44.84 93.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.349 178.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.429 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 88.4 mt -60.15 -51.11 76.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.533 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.11 75.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.391 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 86' ' ' ALA . 17.7 mmm-85 -67.78 -48.73 65.52 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.705 178.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.443 ' O ' HG13 ' A' ' 95' ' ' ILE . 3.0 pp -66.57 -39.84 88.67 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.094 -175.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.3 t -64.69 -38.17 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.906 0.384 . . . . 0.0 110.099 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.644 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -61.81 -43.76 98.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.579 177.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 90' ' ' ARG . 90.1 t -59.06 -42.28 85.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.851 0.358 . . . . 0.0 110.59 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 91' ' ' LEU . 79.5 mt -58.09 -41.65 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.263 176.426 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -73.27 -24.67 60.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.622 -179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.644 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 32.7 mm-40 -66.23 -43.15 87.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.111 0.481 . . . . 0.0 109.725 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.3 mp -75.84 -30.22 58.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.616 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 40.3 p -105.33 25.8 10.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 0.0 111.331 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.615 178.739 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 62.1 m . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 24.7 t -99.07 111.36 23.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.237 -179.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.9 m -77.85 157.08 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.146 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -133.95 122.17 22.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.549 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -95.24 139.89 30.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.437 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.5 mp -89.65 107.79 19.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.226 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 132' ' ' ARG . 49.3 mtt180 -87.1 94.62 9.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.211 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.74 133.76 1.81 Allowed Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.696 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -120.03 173.14 7.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.13 0.491 . . . . 0.0 110.987 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.3 m -101.35 -170.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.371 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ARG . . . . . 0.545 ' HD2' ' H ' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -112.11 -177.56 3.2 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.658 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -87.09 106.15 10.22 Favored Pre-proline 0 C--N 1.326 -0.416 0 C-N-CA 120.736 -0.386 . . . . 0.0 109.98 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' PRO . . . . . 0.495 ' HD3' ' O ' ' A' ' 136' ' ' ARG . 72.1 Cg_endo -77.21 123.11 6.46 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.502 2.135 . . . . 0.0 112.346 -175.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.15 74.86 8.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.22 0.533 . . . . 0.0 109.989 177.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -99.37 109.26 21.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.6 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 58.5 tp -82.74 123.22 29.1 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.834 -172.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -85.69 123.59 31.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.293 172.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -109.04 137.28 47.19 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.481 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -74.17 145.1 44.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.647 -178.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 10.0 p80 . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.778 177.42 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.461 ' SD ' ' HA ' ' A' ' 11' ' ' ALA . 14.0 tpt . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.9 mp -106.63 109.67 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.0 0.429 . . . . 0.0 109.997 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.33 108.61 20.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.794 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.693 ' HB ' HG13 ' A' ' 8' ' ' VAL . 35.8 mm -93.98 160.64 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -178.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.492 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 14.2 m -62.96 155.53 27.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 176.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.492 ' HB2' ' O ' ' A' ' 5' ' ' SER . 37.1 mmt180 73.02 -164.49 0.11 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.481 0.488 . . . . 0.0 110.61 -175.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.2 t -89.68 37.25 0.87 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -173.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.693 HG13 ' HB ' ' A' ' 4' ' ' ILE . 8.6 p -122.59 129.49 75.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.509 0.671 . . . . 0.0 111.563 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m -128.61 149.26 50.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.539 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.418 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 68.5 mt -124.92 128.79 73.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.836 0.351 . . . . 0.0 110.561 -178.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.461 ' HA ' ' SD ' ' A' ' 1' ' ' MET . . . -66.64 151.28 47.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.56 -178.049 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.34 -34.67 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.255 -172.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -87.49 3.1 48.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.08 0.467 . . . . 0.0 111.347 -174.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.449 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 5.5 mm-40 -90.32 -19.55 23.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -175.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.4 mt -85.5 163.26 18.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.052 0.453 . . . . 0.0 111.106 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -89.15 98.05 11.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.916 175.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.1 mm -101.84 112.55 35.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.126 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.37 150.37 37.85 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.462 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.22 114.76 27.32 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 173.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.564 HD12 ' HB3' ' A' ' 36' ' ' ALA . 46.8 mt -55.47 118.26 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.217 0.532 . . . . 0.0 110.591 -176.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.878 -176.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.564 ' HB3' HD12 ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.608 HD11 ' HB3' ' A' ' 80' ' ' GLN . 45.4 mm -100.21 119.72 48.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.57 0.7 . . . . 0.0 111.515 -176.081 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.503 ' HB2' HG12 ' A' ' 20' ' ' ILE . 22.0 t-80 -109.97 114.69 28.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.895 175.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.459 HD21 ' HB1' ' A' ' 87' ' ' ALA . 2.1 pt? -128.44 144.82 51.2 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -121.19 121.06 36.97 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.327 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.51 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 4.3 t80 -96.66 101.45 13.06 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.424 ' HA ' HG23 ' A' ' 69' ' ' VAL . 24.2 t70 -101.6 142.0 33.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.141 -168.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.559 HG21 ' HE3' ' A' ' 53' ' ' LYS . 1.8 mp -78.83 -42.83 24.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.853 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.2 ttm-85 -63.45 -31.75 73.0 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.697 0.284 . . . . 0.0 110.99 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.31 -22.83 54.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.831 173.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.0 p 62.24 154.16 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.268 1.427 . . . . 0.0 113.508 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.28 -38.41 0.96 Allowed Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.673 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.466 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 90.7 mt -75.57 144.42 77.29 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.44 -0.38 . . . . 0.0 110.512 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 23.9 Cg_exo -65.15 158.01 54.38 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.856 2.371 . . . . 0.0 111.788 176.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.34 -36.69 66.55 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.223 -176.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -59.07 -53.0 63.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.429 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 85.7 m-85 -68.07 -35.37 78.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.852 -178.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.559 ' HE3' HG21 ' A' ' 43' ' ' ILE . 1.2 tmtp? -58.24 -50.51 73.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.931 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -63.35 -41.67 98.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 55' ' ' ARG . 10.9 mmt180 -58.74 -44.38 90.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.901 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.606 HD23 HD22 ' A' ' 98' ' ' LEU . 96.0 mt -63.38 -35.32 80.03 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.01 0.433 . . . . 0.0 111.29 -177.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.98 -14.73 57.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.298 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.6 m -92.79 -52.08 4.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.754 0.311 . . . . 0.0 111.428 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.44 117.03 17.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.89 0.376 . . . . 0.0 111.335 -176.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.8 t -77.55 75.08 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.419 0.628 . . . . 0.0 110.134 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -93.39 128.81 39.61 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -73.75 21.3 0.09 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -169.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.1 mt -97.92 -13.05 21.41 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.304 0.573 . . . . 0.0 109.78 172.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.409 ' CD1' HG12 ' A' ' 70' ' ' ILE . 39.1 mm -78.02 130.32 36.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 173.13 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.9 p -82.32 -83.55 0.13 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.866 0.365 . . . . 0.0 111.659 -174.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -146.56 -47.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.202 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.434 ' HB2' HG12 ' A' ' 69' ' ' VAL . 5.6 m-20 -74.88 15.98 0.34 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -177.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.448 ' O ' HD13 ' A' ' 43' ' ' ILE . . . 71.52 19.63 77.88 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.431 -175.296 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.434 HG12 ' HB2' ' A' ' 67' ' ' ASP . 2.7 p -106.0 143.87 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.211 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.51 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 22.8 mt -86.58 117.14 30.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.147 -178.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mp -103.79 119.38 52.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.278 0.561 . . . . 0.0 110.11 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.9 mp -108.3 116.76 52.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.701 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -94.25 104.17 16.17 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.441 0.638 . . . . 0.0 109.597 173.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.575 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -102.29 123.16 45.62 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.829 -174.584 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.428 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . 8.6 pt20 -164.13 104.84 0.88 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.136 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -121.07 -79.23 0.6 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.754 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -161.57 105.25 1.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.545 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 69.66 151.44 0.09 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 172.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.558 ' HB3' HD23 ' A' ' 82' ' ' LEU . 45.1 t 65.71 111.03 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.22 -0.9 . . . . 0.0 113.14 172.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.608 ' HB3' HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -58.34 -34.93 71.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.718 172.927 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -60.57 -54.95 39.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.402 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.558 HD23 ' HB3' ' A' ' 79' ' ' SER . 0.9 OUTLIER -71.1 -31.97 68.46 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.399 -176.128 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.92 -32.75 74.22 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -64.49 -51.48 62.78 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.228 0.537 . . . . 0.0 109.891 175.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.92 -38.55 79.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.688 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.642 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -64.17 -40.84 96.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.487 175.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.509 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . . . -60.26 -40.9 91.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.569 175.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.516 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 84.2 mt -60.31 -50.22 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.755 175.076 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.98 -39.54 74.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.642 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 10.5 mpt_? -60.29 -53.78 53.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.269 176.181 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 4.0 pp -68.21 -36.72 79.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.549 0.214 . . . . 0.0 111.382 -174.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 88' ' ' ILE . 54.3 t -59.98 -41.42 86.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.583 177.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.56 -43.92 88.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.772 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 90' ' ' ARG . 98.8 t -61.69 -41.57 90.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.119 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 91' ' ' LEU . 88.3 mt -58.48 -39.84 76.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.31 0.576 . . . . 0.0 110.39 176.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.45 ' HA ' ' OG1' ' A' ' 99' ' ' THR . 0.0 OUTLIER -72.61 -19.41 61.47 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.374 177.399 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.7 -32.44 74.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.148 0.499 . . . . 0.0 110.617 175.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.606 HD22 HD23 ' A' ' 56' ' ' LEU . 10.3 mp -89.85 -8.32 52.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.725 -176.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.45 ' OG1' ' HA ' ' A' ' 96' ' ' LYS . 2.7 p -114.75 -53.96 2.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.991 0.425 . . . . 0.0 110.998 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.687 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 175.726 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.3 m . . . . . 0 C--O 1.234 0.276 0 CA-C-O 120.44 0.162 . . . . 0.0 111.429 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.6 m 69.93 97.04 0.06 Allowed 'General case' 0 C--O 1.231 0.081 0 O-C-N 124.036 0.835 . . . . 0.0 111.499 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.57 133.76 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.638 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -145.54 122.97 11.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.239 0.542 . . . . 0.0 111.439 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -167.63 97.2 0.47 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.019 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.1 pp -124.51 163.13 22.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.817 -177.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -172.16 168.95 5.63 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.234 0.334 . . . . 0.0 110.229 178.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.59 155.51 26.52 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -151.43 125.02 8.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.001 0.429 . . . . 0.0 111.301 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 3.0 m -144.24 137.14 23.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.44 175.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -162.36 137.02 6.78 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -113.07 103.89 55.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.882 0.372 . . . . 0.0 111.327 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -89.81 179.9 2.0 Allowed 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 123.64 2.893 . . . . 0.0 110.869 171.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 57.1 tp -161.77 117.97 2.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.056 0.455 . . . . 0.0 111.329 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -112.67 130.48 56.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.625 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.7 tt -166.6 101.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.93 113.63 5.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 178.37 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -137.82 88.67 2.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.179 0.514 . . . . 0.0 110.948 176.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -113.98 115.87 28.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.43 174.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.904 -173.253 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.475 ' SD ' ' HA ' ' A' ' 11' ' ' ALA . 14.2 tpt . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.437 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.9 mp -112.34 106.55 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.028 0.442 . . . . 0.0 110.431 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 9' ' ' SER . . . -94.14 119.54 33.12 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.231 176.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.462 HG23 HD13 ' A' ' 95' ' ' ILE . 17.3 mm -83.67 165.67 2.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.408 ' N ' HG22 ' A' ' 4' ' ' ILE . 2.6 p -61.21 152.25 29.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.769 0.319 . . . . 0.0 111.011 178.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.491 ' O ' HG22 ' A' ' 7' ' ' THR . 68.9 mtt180 71.23 34.85 1.69 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.883 -178.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 6' ' ' ARG . 3.3 t 56.56 20.83 5.19 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.65 1.18 . . . . 0.0 113.241 172.336 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.3 t -92.37 104.47 15.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 3' ' ' ALA . 14.2 m -100.15 154.78 18.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.236 0.541 . . . . 0.0 112.003 -174.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.401 HD11 HD21 ' A' ' 48' ' ' LEU . 64.1 mt -130.29 124.11 57.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.324 176.58 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.475 ' HA ' ' SD ' ' A' ' 1' ' ' MET . . . -77.31 153.69 33.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.04 -177.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -62.98 -22.39 66.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.358 0.599 . . . . 0.0 110.24 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -66.63 -28.17 68.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.865 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.83 -16.85 43.02 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.301 -175.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.416 HD11 HD13 ' A' ' 2' ' ' ILE . 88.6 mt -85.51 150.81 24.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.208 -177.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.932 ' HB2' ' HB3' ' A' ' 40' ' ' ARG . 40.1 mt-10 -88.12 101.16 13.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 175.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.3 mm -100.12 130.93 48.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.99 -173.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.51 146.55 36.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.06 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.35 133.38 35.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.69 173.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.584 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 51.5 mt -73.12 118.96 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.084 0.468 . . . . 0.0 110.364 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' A' ' 21' ' ' ARG . 7.8 tpt180 . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.966 -177.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.584 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.443 -0.794 0 CA-C-O 121.213 0.53 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mm -100.36 132.24 46.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.288 -177.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -132.51 104.42 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.438 175.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.676 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.3 pt? -116.85 144.33 44.63 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.045 0.45 . . . . 0.0 110.484 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.932 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 10.1 ttt180 -112.58 108.21 17.21 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.813 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -96.63 103.86 15.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.879 -176.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -103.93 146.5 28.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.91 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.792 HG12 HD13 ' A' ' 56' ' ' LEU . 1.4 mp -85.67 -42.07 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.371 -177.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -61.46 -23.18 65.69 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.609 -174.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.74 -26.21 68.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.622 176.466 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.5 t -130.12 -166.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.45 78.51 0.36 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.925 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.401 HD21 HD11 ' A' ' 10' ' ' ILE . 75.2 mt -75.69 155.72 85.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.529 0.204 . . . . 0.0 110.842 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.409 ' HB2' ' HD2' ' A' ' 52' ' ' TYR . 50.5 Cg_exo -53.37 149.82 28.43 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.976 2.451 . . . . 0.0 112.613 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.04 -37.14 78.93 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -170.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -64.06 -46.26 85.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.543 0.211 . . . . 0.0 111.238 -177.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.595 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 89.3 m-85 -64.69 -45.4 86.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.93 0.395 . . . . 0.0 109.938 175.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -52.96 -48.11 67.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.941 -178.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -72.75 -42.22 64.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.646 0.26 . . . . 0.0 111.255 -176.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -62.29 -33.9 75.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.792 HD13 HG12 ' A' ' 43' ' ' ILE . 91.8 mt -57.53 -42.02 82.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.923 0.392 . . . . 0.0 111.705 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.02 -14.47 31.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.549 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.4 m -93.72 -42.57 9.08 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.78 0.324 . . . . 0.0 111.617 -177.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.93 97.57 10.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.465 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.5 m -68.21 100.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.288 0.566 . . . . 0.0 111.553 -174.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -108.15 140.26 41.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.19 174.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -86.25 11.02 13.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.863 0.84 . . . . 0.0 110.074 -174.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 63' ' ' LEU . 5.5 mp -86.28 -6.75 58.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.302 -1.317 . . . . 0.0 108.993 170.576 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.469 HD13 HG13 ' A' ' 70' ' ' ILE . 48.0 mm -82.65 136.0 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.54 175.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.521 ' CB ' HD13 ' A' ' 71' ' ' ILE . 29.6 t -80.48 -84.46 0.1 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.546 -176.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -121.84 -86.58 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -170.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -87.92 49.0 1.72 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.579 0.704 . . . . 0.0 110.793 -173.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.65 29.53 63.37 Favored Glycine 0 C--O 1.226 -0.352 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.643 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.454 HG11 ' NH1' ' A' ' 40' ' ' ARG . 7.7 p -112.7 144.87 19.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.482 0.182 . . . . 0.0 110.565 -177.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.469 HG13 HD13 ' A' ' 64' ' ' ILE . 4.3 mp -98.53 124.75 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.583 -176.16 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.577 HG13 ' HA ' ' A' ' 40' ' ' ARG . 2.3 mp -121.23 123.76 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.89 0.376 . . . . 0.0 110.061 175.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.676 ' HB ' HD21 ' A' ' 39' ' ' LEU . 3.6 mp -106.0 143.13 17.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.638 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -118.04 146.83 43.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.011 0.434 . . . . 0.0 110.558 176.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.74 135.07 19.41 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.149 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' A' ' 75' ' ' GLN . 12.6 pt20 -158.37 104.34 1.83 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.893 0.378 . . . . 0.0 110.472 -176.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -146.98 -85.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 176.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 20.4 t80 -92.78 10.83 29.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.359 -169.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 77' ' ' PHE . 23.1 mtm180 74.0 -35.9 0.32 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.375 0.67 . . . . 0.0 112.125 178.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.7 m -56.69 106.82 0.33 Allowed 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.027 0.441 . . . . 0.0 110.569 177.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.53 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 21.5 mp0 -59.25 -36.58 75.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.127 -175.331 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -51.07 -54.08 28.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.414 0.446 . . . . 0.0 111.481 -176.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.656 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 3.6 pp -76.41 -30.12 57.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.176 0.513 . . . . 0.0 111.03 -176.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -68.7 -37.33 79.45 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.727 176.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 18.3 mtm180 -68.29 -47.4 67.72 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.7 177.2 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.656 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 12.9 pt-20 -65.22 -33.59 76.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 111.129 -176.094 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.77 82.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.871 0.367 . . . . 0.0 110.495 173.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.6 94.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.191 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.546 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 88.8 mt -59.86 -49.61 83.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.157 175.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.61 -44.79 77.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.914 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -61.35 -44.29 97.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.959 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.2 pp -72.79 -38.19 67.33 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.979 -176.48 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.557 ' HA ' HD12 ' A' ' 95' ' ' ILE . 82.6 t -63.46 -39.19 84.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.936 0.398 . . . . 0.0 109.93 177.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.568 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -60.85 -44.73 96.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.607 176.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.3 t -58.16 -37.87 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.039 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 92' ' ' VAL . 82.1 mt -56.23 -43.52 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 110.262 175.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -69.46 -37.91 77.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.838 177.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 29.7 mm-40 -60.02 -43.36 95.33 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.462 -178.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.642 HD22 HD23 ' A' ' 56' ' ' LEU . 10.6 mp -76.09 -15.38 60.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.246 -178.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.4 m -80.14 -29.33 38.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.585 0.707 . . . . 0.0 109.432 174.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.237 176.86 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.4 t . . . . . 0 C--O 1.234 0.28 0 N-CA-C 110.037 -0.356 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.2 m -150.48 136.2 18.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.41 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.7 p -157.83 140.19 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.131 -176.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -138.5 150.49 46.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.294 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -154.92 107.99 2.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.392 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.564 ' HG ' ' HG3' ' A' ' 132' ' ' ARG . 2.6 pt? -169.21 -178.02 3.06 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.935 -178.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.564 ' HG3' ' HG ' ' A' ' 131' ' ' LEU . 99.5 mtt180 77.07 156.17 0.17 Allowed 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.302 1.001 . . . . 0.0 112.183 178.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 168.27 163.66 22.62 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.811 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -162.69 132.23 4.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.164 0.482 . . . . 0.0 110.844 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 48.6 t -126.59 126.08 68.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.775 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -135.47 144.7 46.54 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -135.69 94.85 14.58 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 120.921 0.391 . . . . 0.0 110.637 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -88.68 117.85 0.95 Allowed 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.296 2.664 . . . . 0.0 112.398 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 87.9 mt -100.74 118.25 36.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.54 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -120.87 178.03 4.87 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.4 mt -124.12 157.51 34.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.354 0.597 . . . . 0.0 112.215 -170.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -122.71 159.87 27.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.17 -0.923 . . . . 0.0 108.823 173.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -161.09 82.49 0.64 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.03 0.443 . . . . 0.0 110.481 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -83.77 115.16 22.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.012 177.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 2.8 p80 . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.296 179.719 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . 0.858 HD11 HD11 ' A' ' 15' ' ' LEU . 45.8 mm -105.4 132.06 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.035 0.445 . . . . 0.0 111.234 -178.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.62 120.85 38.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.252 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.881 ' HB ' HG13 ' A' ' 8' ' ' VAL . 34.7 mm -98.89 164.2 2.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -178.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.446 ' N ' HG22 ' A' ' 4' ' ' ILE . 2.6 p -61.16 142.71 56.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.066 0.46 . . . . 0.0 111.013 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 73.05 43.38 0.4 Allowed 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.751 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 76.84 -25.33 0.2 Allowed 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 164.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.881 HG13 ' HB ' ' A' ' 4' ' ' ILE . 7.6 p -62.72 131.34 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.144 0.497 . . . . 0.0 111.099 -178.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.6 m -118.29 155.29 30.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.348 -175.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.552 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 57.0 mt -130.18 154.36 40.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.521 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.49 162.3 25.92 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.147 0.499 . . . . 0.0 111.219 -177.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -79.06 -41.84 27.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.889 -174.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -85.69 14.97 5.08 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -170.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -94.94 -2.25 50.89 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 120.947 0.404 . . . . 0.0 111.115 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.858 HD11 HD11 ' A' ' 2' ' ' ILE . 92.6 mt -79.89 140.76 36.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.737 177.547 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -105.89 112.93 26.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 175.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -105.55 127.79 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.039 0.447 . . . . 0.0 110.974 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 p -125.07 149.14 48.11 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.345 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.33 125.96 46.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.502 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.54 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 60.9 mt -71.48 143.89 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.108 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 . . . . . 0 CA--C 1.53 0.176 0 O-C-N 123.633 0.583 . . . . 0.0 111.859 -178.529 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.54 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.442 -0.843 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.566 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 50.0 mm -97.49 124.99 50.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.284 0.564 . . . . 0.0 111.02 -174.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.403 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 55.1 t-80 -118.73 115.76 25.16 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.437 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.625 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.6 pt? -132.79 150.28 52.18 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 32.6 ptt180 -130.79 137.4 49.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.154 0.502 . . . . 0.0 110.95 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -108.79 109.97 21.23 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 174.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -113.62 153.66 28.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.947 0.403 . . . . 0.0 111.302 -172.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.515 HG21 ' HE3' ' A' ' 53' ' ' LYS . 63.1 mt -64.63 -44.33 96.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.3 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -65.15 -19.04 65.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.915 -176.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.75 -18.13 62.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.657 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t 66.3 179.34 0.21 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.681 0.753 . . . . 0.0 111.268 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.72 -48.05 0.98 Allowed Glycine 0 C--N 1.316 -0.577 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.732 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 94.4 mt -73.53 143.3 82.16 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.712 0.291 . . . . 0.0 110.947 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 17.8 Cg_exo -69.39 153.04 71.2 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.781 2.321 . . . . 0.0 111.49 174.063 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 44.5 mt-10 -57.83 -39.0 76.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.046 -174.307 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -55.83 -51.12 68.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.89 0.376 . . . . 0.0 111.225 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.453 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 85.9 m-85 -71.29 -34.3 70.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.305 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.515 ' HE3' HG21 ' A' ' 43' ' ' ILE . 83.3 tttt -55.17 -42.57 73.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.125 175.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 32.5 mm-40 -67.24 -40.31 86.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.227 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -68.14 -31.39 70.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.106 -175.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 52' ' ' TYR . 96.7 mt -63.34 -33.03 74.64 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.107 0.479 . . . . 0.0 110.759 177.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.0 mt -79.72 -17.46 53.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.838 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.8 m -84.18 -44.81 13.59 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.406 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.37 106.85 18.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.546 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.5 m -75.27 63.8 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.233 0.54 . . . . 0.0 110.635 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -81.4 142.78 32.67 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -63.49 -28.48 69.98 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -170.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.46 HD22 ' CG2' ' A' ' 94' ' ' VAL . 6.9 mp -72.13 -3.47 23.43 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.763 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.45 HD13 HG13 ' A' ' 70' ' ' ILE . 43.2 mm -76.56 126.58 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 167.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.585 ' HB2' HD13 ' A' ' 71' ' ' ILE . 19.0 t -74.23 -46.89 38.83 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.557 -167.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -155.01 -75.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.338 -176.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -91.54 -83.48 0.28 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.833 0.349 . . . . 0.0 111.086 -178.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -137.95 33.37 2.26 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 121.02 -0.609 . . . . 0.0 111.904 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.501 HG13 ' HB3' ' A' ' 65' ' ' SER . 8.1 p -116.29 142.8 28.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 -178.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.45 HG13 HD13 ' A' ' 64' ' ' ILE . 4.4 mp -105.44 122.6 58.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.585 HD13 ' HB2' ' A' ' 65' ' ' SER . 1.6 mp -113.23 123.82 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.625 ' HB ' HD21 ' A' ' 39' ' ' LEU . 4.8 mp -111.75 134.15 55.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.898 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -106.02 119.31 38.86 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.541 0.686 . . . . 0.0 110.654 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.632 ' HB2' ' HB2' ' A' ' 87' ' ' ALA . . . -114.09 123.57 49.98 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.938 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -154.79 104.53 2.52 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.388 0.614 . . . . 0.0 110.92 -174.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.33 -73.45 0.67 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 170.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -174.16 -48.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.226 172.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.679 ' HG2' ' H ' ' A' ' 79' ' ' SER . 23.2 ttp180 -146.58 177.98 8.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.969 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.679 ' H ' ' HG2' ' A' ' 78' ' ' ARG . 19.3 m 65.79 85.92 0.14 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.57 0.7 . . . . 0.0 110.384 -177.153 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -62.73 -30.15 71.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.841 -172.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.71 -52.81 63.54 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.95 -32.0 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.18 -176.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -60.77 -45.08 95.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.781 174.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -65.21 -44.24 88.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.852 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -56.19 -41.42 75.51 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.58 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.57 -33.64 73.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.771 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.632 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . . . -67.06 -46.19 75.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.458 177.144 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.634 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 77.9 mt -63.17 -48.7 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.277 177.398 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.89 -32.45 69.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.128 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.525 ' O ' HG23 ' A' ' 94' ' ' VAL . 23.1 tpt180 -66.21 -49.78 66.1 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.817 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.8 pp -66.54 -36.23 82.18 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.496 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 88' ' ' ILE . 88.3 t -61.51 -42.91 95.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.427 176.64 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.96 91.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 177.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 90' ' ' ARG . 63.3 t -63.58 -49.22 83.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.458 177.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 91' ' ' LEU . 83.1 mt -59.35 -45.49 93.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.761 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 98.2 mttt -65.04 -24.27 67.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.548 0.213 . . . . 0.0 111.503 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -77.14 -43.72 32.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.784 0.326 . . . . 0.0 111.308 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.0 mp -75.97 -33.01 59.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.674 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 81.1 p -99.84 8.72 43.96 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.603 -176.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 96' ' ' LYS . . . . . . . . 0 C--O 1.235 0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.399 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.9 m . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.8 m -136.22 106.44 6.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 -176.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.0 p -140.77 130.36 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.082 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -156.82 128.19 6.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.6 176.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -154.24 137.29 15.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.847 0.356 . . . . 0.0 111.166 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.0 pp -145.44 146.53 31.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.083 177.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.485 ' C ' ' HD2' ' A' ' 132' ' ' ARG . 1.6 ppt_? -149.7 173.5 13.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.876 -177.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLY . . . . . 0.429 ' C ' ' HD2' ' A' ' 134' ' ' LYS . . . 136.72 143.0 4.53 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.274 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.429 ' HD2' ' C ' ' A' ' 133' ' ' GLY . 4.4 mptp? -126.08 132.9 51.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.794 0.297 . . . . 0.0 111.082 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.5 p -156.11 130.37 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -116.19 118.82 33.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.9 0.381 . . . . 0.0 110.894 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -100.64 109.33 57.18 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.115 175.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -86.35 163.26 9.75 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 123.083 2.522 . . . . 0.0 112.724 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -165.73 142.7 5.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.509 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -135.66 172.17 13.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 35.9 tp -157.1 118.94 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.777 0.322 . . . . 0.0 111.57 -173.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -130.46 99.77 5.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.206 0.527 . . . . 0.0 110.742 171.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -121.84 144.7 48.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.136 174.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -149.47 132.48 16.22 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.486 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.477 177.341 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 tpt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.553 HD13 HD21 ' A' ' 15' ' ' LEU . 3.7 mp -117.24 123.94 72.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.951 0.405 . . . . 0.0 110.958 -175.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.21 95.38 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.801 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.615 HG13 HD13 ' A' ' 10' ' ' ILE . 35.1 mm -79.34 156.9 4.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.463 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.5 m -86.17 164.08 17.44 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.349 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.418 ' HG3' ' HB3' ' A' ' 51' ' ' TYR . 0.0 OUTLIER 67.07 71.2 0.37 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.039 -179.72 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 6' ' ' ARG . 1.1 m 75.72 -44.52 0.51 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 164.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.483 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 8.7 p -105.76 154.46 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 122.019 -0.426 . . . . 0.0 111.646 -171.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.4 m -135.21 156.35 49.13 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 171.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.615 HD13 HG13 ' A' ' 4' ' ' ILE . 1.4 mp -100.23 140.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.835 0.35 . . . . 0.0 110.424 -177.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.25 -175.07 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.815 -173.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -95.44 -55.41 3.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.803 -173.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -79.34 -14.6 58.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.274 0.559 . . . . 0.0 111.14 -173.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -83.15 9.8 9.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.86 -176.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.553 HD21 HD13 ' A' ' 2' ' ' ILE . 84.5 mt -78.01 150.53 33.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 111.923 -177.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -95.96 119.42 34.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.175 176.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.2 mm -128.03 120.56 53.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.012 0.434 . . . . 0.0 110.649 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.579 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -121.34 149.88 42.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.983 178.775 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.66 122.17 46.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.52 HD11 ' HB2' ' A' ' 38' ' ' HIS . 53.2 mt -96.61 121.23 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.311 0.577 . . . . 0.0 112.379 -173.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -114.83 94.4 4.74 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.036 -0.984 . . . . 0.0 108.387 168.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.78 132.19 34.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.54 -172.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.43 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 6.7 tp60 72.0 137.22 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 O-C-N 124.384 1.053 . . . . 0.0 111.995 175.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.81 107.08 2.53 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.669 176.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.38 138.4 58.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.784 0.326 . . . . 0.0 111.237 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.67 70.3 1.89 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.533 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.42 -75.85 2.32 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 -176.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -85.7 161.48 19.19 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -74.25 122.67 23.2 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.017 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.7 t -91.27 -21.2 6.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.707 0.765 . . . . 0.0 109.217 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -128.42 175.39 8.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.345 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -123.08 9.36 9.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.443 0.639 . . . . 0.0 109.766 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.6 p -93.51 11.23 29.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.556 -176.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.4 m -85.38 33.06 0.55 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.131 0.491 . . . . 0.0 110.935 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.1 t -154.19 95.76 1.87 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.56 148.48 26.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.85 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.7 mm -99.06 124.57 52.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.579 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 55.4 t-80 -112.1 121.78 45.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.02 -177.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.428 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.0 pt? -132.32 148.31 52.43 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -133.35 140.34 47.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.17 0.51 . . . . 0.0 110.859 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.509 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 60.2 t80 -107.74 102.74 11.94 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.873 175.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.475 ' HA ' HG23 ' A' ' 69' ' ' VAL . 12.7 t0 -106.53 136.49 46.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.235 0.54 . . . . 0.0 111.466 -173.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.436 HG12 HD12 ' A' ' 48' ' ' LEU . 43.5 mt -67.83 -44.8 85.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.466 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 -66.27 -22.3 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.256 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.6 -13.39 59.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.2 m -128.92 -162.89 1.23 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -176.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.9 71.0 0.5 Allowed Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.485 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 85.2 mt -69.59 145.1 94.81 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -173.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 15.8 Cg_exo -68.79 168.55 19.89 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.338 2.692 . . . . 0.0 112.916 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 1.028 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -60.31 -48.01 83.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.201 -174.615 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.418 ' HB3' ' HG3' ' A' ' 6' ' ' ARG . 44.5 t80 -65.1 -41.4 94.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.987 0.423 . . . . 0.0 110.882 -177.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.443 ' HE2' ' HE2' ' A' ' 41' ' ' PHE . 37.2 t80 -65.84 -47.44 74.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.152 -175.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 1.028 ' HE2' ' HA ' ' A' ' 50' ' ' GLU . 61.4 pttt -65.02 -34.22 77.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.7 0.286 . . . . 0.0 111.113 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -63.57 -41.2 98.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.61 0.243 . . . . 0.0 110.711 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HD3' ' O ' ' A' ' 98' ' ' LEU . 3.3 mmp_? -59.08 -45.89 89.68 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.379 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.432 HD22 HD11 ' A' ' 70' ' ' ILE . 86.2 mt -62.83 -31.76 72.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.106 -174.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 57' ' ' LEU . 4.4 mm? -91.27 -13.51 32.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.651 -177.436 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.2 p -99.31 -34.34 10.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.752 0.311 . . . . 0.0 111.525 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.432 ' HB1' HD12 ' A' ' 98' ' ' LEU . . . -83.35 90.09 7.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.23 0.538 . . . . 0.0 111.246 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.6 m -69.3 102.16 1.67 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.992 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.31 150.48 51.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.384 175.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -64.17 -26.66 68.62 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.641 0.258 . . . . 0.0 111.681 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.45 HD13 ' HB ' ' A' ' 108' ' ' THR . 10.1 mp -62.16 -23.86 66.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.726 0.298 . . . . 0.0 111.43 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.495 HD13 HG13 ' A' ' 70' ' ' ILE . 35.8 mm -79.03 127.53 38.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.506 ' OG ' HD13 ' A' ' 71' ' ' ILE . 34.5 m -74.13 -54.47 7.72 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.766 -175.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t70 177.46 -48.62 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.688 0.618 . . . . 0.0 109.563 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -81.13 19.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.793 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.06 7.53 88.4 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.178 -177.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.475 HG23 ' HA ' ' A' ' 42' ' ' ASP . 6.7 p -89.41 142.95 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.509 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 4.0 mp -101.41 120.7 51.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.426 -176.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.506 HD13 ' OG ' ' A' ' 65' ' ' SER . 1.6 mp -112.06 123.55 67.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 0.0 109.943 177.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 45.0 mm -107.0 121.11 59.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.155 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -118.8 109.54 16.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.562 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.64 129.49 49.71 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.054 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -156.87 103.93 2.09 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.45 0.643 . . . . 0.0 110.533 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -124.12 -60.4 1.43 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.245 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -138.01 173.1 11.99 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.42 ' HB3' ' H ' ' A' ' 79' ' ' SER . 64.3 mtp180 -71.19 -164.01 0.1 Allowed 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.137 0.273 . . . . 0.0 110.84 174.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.42 ' H ' ' HB3' ' A' ' 78' ' ' ARG . 19.6 m 71.53 89.29 0.1 Allowed 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.79 0.681 . . . . 0.0 109.529 -173.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.96 -31.83 63.32 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.031 -177.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -51.08 -48.84 61.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.503 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.83 -38.65 64.47 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.979 -176.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -59.45 -45.01 92.8 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.0 mtm105 -65.57 -56.38 12.59 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.118 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -53.42 -45.78 69.53 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.0 -43.86 86.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.625 0.25 . . . . 0.0 111.021 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.64 87.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.269 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.532 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.4 mt -62.28 -51.89 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.786 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.82 -41.65 70.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 111.426 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.443 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 28.0 mmt180 -68.17 -46.06 71.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.744 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 4.1 pp -67.19 -38.39 85.28 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.775 -176.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.493 HG22 HG23 ' A' ' 2' ' ' ILE . 80.6 t -61.13 -44.39 98.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 120.92 0.391 . . . . 0.0 110.344 177.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.604 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -60.52 -48.52 81.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.518 177.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.2 -47.07 88.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 O-C-N 123.363 0.414 . . . . 0.0 110.995 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.3 mt -52.8 -49.44 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.578 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -62.95 -35.18 79.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.742 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.604 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 6.9 mm-40 -71.57 -39.03 70.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -177.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.466 ' O ' ' HD3' ' A' ' 55' ' ' ARG . 3.8 mm? -87.16 -23.64 24.75 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -178.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.9 m -76.77 -14.8 59.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.668 0.747 . . . . 0.0 109.195 172.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.31 169.64 16.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.082 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.68 -167.3 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.692 0.758 . . . . 0.0 112.518 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -64.7 173.35 2.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.024 -0.989 . . . . 0.0 113.562 -171.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 81.2 tttt 75.9 -14.53 0.78 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 114.269 -1.332 . . . . 0.0 112.278 173.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 18.7 t -83.02 94.07 7.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.016 0.436 . . . . 0.0 109.862 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -137.58 -175.44 4.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.354 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.778 ' HG2' ' H ' ' A' ' 107' ' ' ALA . 31.9 ttm180 64.03 -166.85 0.22 Allowed 'General case' 0 CA--C 1.544 0.732 0 O-C-N 123.491 0.494 . . . . 0.0 111.059 175.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.778 ' H ' ' HG2' ' A' ' 106' ' ' ARG . . . 76.75 10.3 2.75 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 172.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.45 ' HB ' HD13 ' A' ' 63' ' ' LEU . 23.5 p -129.44 88.44 2.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.033 0.444 . . . . 0.0 111.861 -178.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -138.48 83.8 20.22 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.604 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -96.21 95.21 0.09 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 123.504 2.803 . . . . 0.0 111.5 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.9 p -85.47 83.14 8.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.254 0.55 . . . . 0.0 112.22 -175.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -125.28 92.17 3.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.979 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -156.05 107.93 2.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.532 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.5 t -172.08 116.92 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.976 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -171.17 113.02 0.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -151.15 150.71 30.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.039 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -159.05 -174.87 4.96 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -134.17 158.46 43.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 173.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 57.1 tp -165.04 101.13 0.76 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.939 0.399 . . . . 0.0 110.804 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.4 p -143.31 118.27 10.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.708 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.1 m -148.21 114.74 5.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.715 0.293 . . . . 0.0 110.759 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.426 ' HE3' ' HB2' ' A' ' 122' ' ' LYS . 20.1 ptmt -142.5 116.51 9.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.569 176.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -131.37 105.64 7.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.665 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -145.63 122.01 10.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -124.38 124.72 42.96 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.152 -172.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.2 t -135.38 97.55 3.73 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 174.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.4 p -99.94 97.82 8.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.163 0.506 . . . . 0.0 110.886 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 29.9 m -131.5 6.05 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.769 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.686 ' HE3' HD23 ' A' ' 131' ' ' LEU . 6.5 tmtm? -94.89 107.61 19.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.045 -177.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -131.01 147.58 52.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.686 HD23 ' HE3' ' A' ' 129' ' ' LYS . 2.5 pp -148.54 165.35 31.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.869 0.366 . . . . 0.0 111.558 -175.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -142.68 -175.39 4.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.574 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 143.42 88.25 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.792 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -135.43 97.91 3.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.006 0.432 . . . . 0.0 110.364 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.6 p -137.32 134.82 47.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.049 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -96.78 112.24 24.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.174 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 137' ' ' ARG . 5.8 tpp180 -141.46 90.23 9.03 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.681 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -91.09 124.86 0.93 Allowed 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 123.005 2.47 . . . . 0.0 112.948 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.67 96.17 6.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.721 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -101.08 141.7 33.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.921 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' A' ' 141' ' ' LEU . 1.2 pt? -145.56 95.24 2.62 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.343 0.592 . . . . 0.0 109.947 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -109.54 176.43 5.08 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.888 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -133.46 138.82 46.35 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.993 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -141.52 120.74 13.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.861 0.362 . . . . 0.0 110.948 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -175.12 151.14 1.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.617 174.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -83.44 136.29 34.36 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -81.36 123.68 28.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.11 0.481 . . . . 0.0 111.584 -174.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 6.6 m170 . . . . . 0 C--O 1.243 0.714 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.256 169.899 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.738 0.304 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 4.2 mp -104.89 129.97 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.204 -178.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.82 117.33 29.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.379 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 5' ' ' SER . 23.0 mm -106.71 166.2 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.442 ' N ' HG22 ' A' ' 4' ' ' ILE . 58.0 m -56.79 160.37 3.45 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -176.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.476 ' HG2' ' OH ' ' A' ' 52' ' ' TYR . 27.3 mmm180 66.97 -88.54 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.873 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.3 p -146.72 1.99 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.727 0.299 . . . . 0.0 111.117 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.42 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 55.8 t -78.65 122.88 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.839 0.352 . . . . 0.0 110.594 -172.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.0 m -123.03 149.87 43.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.084 0.468 . . . . 0.0 110.151 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 64.2 mt -115.91 129.62 71.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.542 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -60.47 148.38 37.8 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -62.13 -24.85 67.4 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.353 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -114.87 10.59 16.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.218 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.542 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 7.1 mt-10 -73.01 -23.76 60.66 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.9 mt -85.75 122.21 29.51 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.555 171.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -75.51 115.07 14.79 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.202 0.525 . . . . 0.0 111.361 -176.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.5 mm -86.5 118.55 33.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.084 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.412 ' O ' ' HB3' ' A' ' 38' ' ' HIS . 0.3 OUTLIER -122.84 150.24 43.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.003 -176.323 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.47 145.07 25.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.516 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.62 ' CG1' ' HB2' ' A' ' 38' ' ' HIS . 40.1 mt -97.05 126.73 49.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.859 0.362 . . . . 0.0 110.592 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -121.84 10.47 10.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.007 -176.077 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -162.29 164.52 27.49 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 71.37 70.18 0.17 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.837 0.827 . . . . 0.0 110.296 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.07 117.79 0.65 Allowed Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.212 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.8 -171.43 3.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.736 0.303 . . . . 0.0 111.121 -175.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.02 -57.75 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.15 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.63 -165.69 39.05 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.574 -0.61 . . . . 0.0 111.574 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -71.15 156.43 39.6 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.1 m80 68.81 3.13 3.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.205 -176.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.6 t -124.35 140.55 47.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.6 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -90.75 150.36 21.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.888 0.375 . . . . 0.0 110.517 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.487 ' NZ ' ' HB2' ' A' ' 32' ' ' LYS . 10.2 mtmp? -77.66 120.43 22.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.405 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.2 t -153.07 159.96 42.88 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.457 -178.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.5 p -145.04 100.6 3.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.961 0.41 . . . . 0.0 111.587 -176.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.432 ' OG ' ' HG3' ' A' ' 78' ' ' ARG . 32.0 t -90.92 66.13 5.84 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 173.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.581 ' HB3' HD12 ' A' ' 20' ' ' ILE . . . -121.94 157.23 31.69 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.392 -171.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.7 mm -100.22 133.69 42.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.678 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.62 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 57.9 t-80 -124.25 121.83 36.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.043 0.449 . . . . 0.0 110.535 -178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 39' ' ' LEU . 1.8 pt? -133.0 149.3 52.23 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 174.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 36.1 ptt180 -133.57 132.93 41.44 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.955 0.407 . . . . 0.0 111.126 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -113.03 118.4 34.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.123 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.441 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 9.7 t0 -105.65 134.38 48.87 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.635 174.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.1 mp -55.45 -43.08 70.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.741 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.441 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 56.4 mtt180 -64.28 -15.77 60.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.247 -177.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.53 -23.23 60.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.058 0.456 . . . . 0.0 110.461 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.2 t -122.38 -162.12 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.521 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.23 67.71 0.56 Allowed Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.9 mt -76.32 144.09 74.03 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.764 0.316 . . . . 0.0 111.665 -176.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -68.46 161.35 45.34 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.0 2.466 . . . . 0.0 112.037 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.509 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 70.8 mm-40 -62.23 -31.64 72.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.096 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -52.89 -51.0 62.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.516 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.476 ' OH ' ' HG2' ' A' ' 6' ' ' ARG . 85.9 m-85 -81.06 -34.41 32.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.636 -178.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 0.7 OUTLIER -57.03 -43.7 82.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.828 178.656 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -70.91 -35.41 72.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.336 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.558 ' HD2' ' O ' ' A' ' 98' ' ' LEU . 29.2 mmt180 -60.99 -44.53 97.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.677 0.275 . . . . 0.0 111.471 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 52' ' ' TYR . 86.7 mt -69.15 -41.54 77.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.774 -176.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.9 mt -79.4 -16.43 56.22 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.5 p -90.86 -34.92 15.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.071 0.462 . . . . 0.0 111.719 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.17 99.05 6.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.241 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.2 m -57.33 120.63 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.238 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -140.6 152.06 45.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.63 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -81.45 -12.45 58.89 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 174.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.613 ' HB3' HG23 ' A' ' 70' ' ' ILE . 8.6 mp -59.47 -37.37 78.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.189 -1.369 . . . . 0.0 109.156 169.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.564 HD13 HG12 ' A' ' 70' ' ' ILE . 29.9 mm -78.8 124.28 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 174.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.458 ' OG ' HD13 ' A' ' 71' ' ' ILE . 16.8 m -97.16 -83.57 0.39 Allowed 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.54 -175.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -141.08 -52.84 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.722 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -74.64 14.27 0.51 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.246 -0.434 . . . . 0.0 112.07 -174.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.82 26.13 72.11 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.372 -173.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.7 p -105.57 144.15 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.188 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.613 HG23 ' HB3' ' A' ' 63' ' ' LEU . 51.1 mt -99.64 118.13 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.626 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.458 HD13 ' OG ' ' A' ' 65' ' ' SER . 1.7 mp -96.3 122.62 47.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.942 0.401 . . . . 0.0 110.33 177.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.0 mm -108.34 122.75 63.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.872 177.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -120.25 116.84 26.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.369 -178.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -135.98 142.1 44.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.998 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.537 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 18.2 pt20 -166.45 104.8 0.62 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.909 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -126.39 -68.66 0.8 Allowed 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.842 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.416 ' HB2' HD21 ' A' ' 82' ' ' LEU . 44.9 m-85 -102.62 14.57 31.62 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -174.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.432 ' HG3' ' OG ' ' A' ' 35' ' ' SER . 57.9 ttp85 69.04 -43.25 0.51 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.6 0.563 . . . . 0.0 112.139 -177.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.1 m -46.1 114.25 0.76 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.338 0.59 . . . . 0.0 111.634 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -39.71 78.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.734 -174.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.79 -54.82 42.75 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -175.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 77' ' ' PHE . 4.0 pp -73.48 -36.3 65.79 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.464 -174.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -63.68 -32.98 74.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.6 mtp-105 -64.98 -57.48 8.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.397 0.618 . . . . 0.0 110.663 173.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.74 -32.55 73.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.974 -173.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.543 ' O ' ' HG2' ' A' ' 90' ' ' ARG . . . -68.74 -43.14 76.52 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.215 -0.194 . . . . 0.0 110.531 175.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.81 -43.63 90.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.819 0.343 . . . . 0.0 110.589 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.656 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 77.5 mt -61.87 -48.72 87.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.463 177.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.12 77.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.224 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 86' ' ' ALA . 26.1 mmm180 -60.67 -42.52 97.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.905 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.5 pp -74.33 -36.47 63.68 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.248 -179.247 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.624 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 92.3 t -62.33 -41.71 92.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.225 176.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.99 85.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.932 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 83.2 t -60.42 -44.84 97.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.309 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 64.1 mt -53.57 -47.82 59.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.815 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 26.0 mtpp -70.35 -23.58 62.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.358 -175.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -75.13 -47.64 27.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.118 0.485 . . . . 0.0 110.537 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.558 ' O ' ' HD2' ' A' ' 55' ' ' ARG . 9.9 mp -68.69 -30.31 68.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.878 -177.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.0 p -80.59 -3.03 48.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.86 0.362 . . . . 0.0 111.774 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.64 131.06 35.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.182 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.4 121.54 15.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.608 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 68.04 99.61 0.05 Allowed 'General case' 0 C--O 1.233 0.221 0 O-C-N 124.002 0.814 . . . . 0.0 110.413 -177.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.99 124.58 28.39 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.432 -174.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.8 t -76.32 -30.64 57.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.053 177.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 105' ' ' ARG . 9.0 ttm180 -81.32 105.02 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.385 -178.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -164.92 109.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.177 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -141.6 31.39 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.387 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.3 t -146.52 169.41 19.0 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.233 -176.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -113.69 140.99 25.32 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.263 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -56.89 117.73 4.46 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.097 2.531 . . . . 0.0 112.759 -176.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.4 t -81.63 -19.01 42.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.284 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -110.37 117.47 33.71 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -94.11 20.32 8.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.409 -175.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.4 m -66.62 107.18 2.02 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -101.9 82.48 2.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.554 -171.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -121.37 80.54 1.67 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 168.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -92.35 99.52 12.26 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.828 -172.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 118' ' ' ARG . 4.6 mpt_? -95.14 -54.86 3.28 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.572 174.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.7 mt 58.16 -167.91 0.14 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.382 -177.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.7 t -178.12 101.91 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 46.8 m -102.59 126.45 49.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.279 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -131.27 134.64 46.6 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -89.05 153.73 20.76 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.81 0.338 . . . . 0.0 110.701 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -101.31 164.58 11.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.752 0.311 . . . . 0.0 110.21 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -103.8 103.22 13.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.445 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 62.1 m -131.13 99.14 4.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.016 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.5 p -141.26 149.42 41.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.372 -177.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 30.9 m -104.1 -176.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.866 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -144.37 168.86 19.08 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.521 -0.178 . . . . 0.0 110.521 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.43 156.96 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.714 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 131' ' ' LEU . 1.2 tm? -118.85 -60.62 1.74 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.851 0.358 . . . . 0.0 110.531 -175.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -103.8 177.38 4.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.841 -175.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -107.84 -119.72 4.41 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -150.86 175.93 11.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.716 0.293 . . . . 0.0 110.56 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.43 134.26 49.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.107 0.479 . . . . 0.0 110.906 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -104.41 143.67 32.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.669 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.606 ' HA ' ' HE ' ' A' ' 137' ' ' ARG . 1.3 mmp_? -128.34 88.59 52.15 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.786 0.327 . . . . 0.0 110.291 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -81.12 110.13 2.25 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 123.125 2.55 . . . . 0.0 112.706 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 91.0 mt -103.42 156.77 17.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.976 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -145.0 144.83 31.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 111.363 -176.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 6.0 tt -127.55 123.02 34.82 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.09 137.45 43.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.343 0.592 . . . . 0.0 112.293 -172.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -113.9 140.73 48.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.42 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -140.97 137.71 33.25 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -77.01 116.27 17.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.98 0.419 . . . . 0.0 109.887 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -75.02 134.17 41.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.96 -178.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -128.91 179.8 5.53 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 173.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 11.0 p80 . . . . . 0 C--O 1.246 0.877 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.594 178.485 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.836 HD11 HD11 ' A' ' 15' ' ' LEU . 48.9 mm -98.34 120.56 47.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.524 0.202 . . . . 0.0 110.488 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.12 118.35 32.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.635 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 33.4 mm -109.46 165.34 5.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.457 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.461 ' N ' HG22 ' A' ' 4' ' ' ILE . 2.9 p -63.29 169.84 3.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.981 0.42 . . . . 0.0 112.121 -178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 69.09 -83.63 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.498 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -164.32 20.11 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.11 0.481 . . . . 0.0 110.64 -176.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.635 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 39.6 t -95.8 127.69 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.776 -176.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 m -140.61 147.44 39.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.932 0.396 . . . . 0.0 110.42 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.549 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 4.8 mp -129.43 139.4 51.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.542 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.22 142.3 58.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.915 0.388 . . . . 0.0 110.543 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.03 -24.11 67.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.844 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -76.61 -7.01 54.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.235 -176.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.55 -11.33 56.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.668 0.271 . . . . 0.0 111.341 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.836 HD11 HD11 ' A' ' 2' ' ' ILE . 91.8 mt -85.22 136.24 33.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.908 0.385 . . . . 0.0 111.763 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.475 ' OE1' ' HD2' ' A' ' 40' ' ' ARG . 34.3 mt-10 -86.59 95.33 9.72 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.85 173.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.8 mm -95.61 113.49 30.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.555 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 p -117.9 145.43 44.65 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.108 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.95 130.63 34.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.917 0.389 . . . . 0.0 110.986 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.733 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 60.8 mt -81.75 126.22 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.43 178.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.33 116.04 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.521 174.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.51 -83.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.696 0.284 . . . . 0.0 110.562 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -147.69 -0.78 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.938 0.399 . . . . 0.0 110.693 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.07 -167.17 39.52 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.955 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -149.55 173.1 13.99 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.68 145.78 5.06 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.493 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.26 -80.27 0.85 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.509 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -122.97 -175.17 3.11 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -84.39 132.88 34.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.887 0.375 . . . . 0.0 111.168 -173.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.93 138.85 43.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.944 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -102.6 -13.91 16.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.034 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -81.93 79.78 8.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.383 0.611 . . . . 0.0 109.567 171.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 p -85.88 -179.72 6.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.065 -178.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.7 t -81.63 94.7 6.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.974 0.416 . . . . 0.0 110.177 -176.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.4 m -144.22 91.98 2.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.322 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.733 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -146.96 147.81 31.1 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.577 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 47.4 mm -100.96 117.89 46.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.234 0.54 . . . . 0.0 111.688 -172.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.624 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 47.6 t-80 -113.68 108.02 16.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.405 174.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.57 HD21 ' HB1' ' A' ' 87' ' ' ALA . 2.4 pt? -129.06 148.94 51.06 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.055 0.455 . . . . 0.0 110.402 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.475 ' HD2' ' OE1' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -123.95 121.37 35.12 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.506 178.766 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.479 ' HE2' ' HG ' ' A' ' 48' ' ' LEU . 37.1 t80 -99.12 102.55 14.26 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 175.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.546 ' HA ' HG23 ' A' ' 69' ' ' VAL . 25.8 t70 -95.27 140.34 30.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.456 0.646 . . . . 0.0 111.384 -174.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.3 mp -91.4 -39.55 11.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.07 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -36.84 64.64 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.457 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.76 -3.74 13.42 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.632 0.373 . . . . 0.0 111.833 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.8 t 67.23 119.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.258 1.028 . . . . 0.0 111.64 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -157.01 -66.88 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.835 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.115 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HG ' ' HE2' ' A' ' 41' ' ' PHE . 89.2 mt -75.72 145.82 79.02 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 173.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.56 151.25 39.23 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.383 2.055 . . . . 0.0 110.958 172.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.907 ' HG3' ' HD2' ' A' ' 53' ' ' LYS . 22.4 tt0 -65.5 -20.52 66.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.807 0.337 . . . . 0.0 111.554 -171.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -68.62 -26.36 65.31 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.295 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -82.11 -34.95 29.02 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 171.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.907 ' HD2' ' HG3' ' A' ' 50' ' ' GLU . 1.0 OUTLIER -59.4 -40.69 87.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.033 177.738 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 14.0 mm100 -60.82 -44.08 97.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.818 177.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -56.12 -49.04 75.02 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.806 HD23 HD22 ' A' ' 98' ' ' LEU . 80.4 mt -65.45 -28.59 69.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.764 -175.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.9 mt -85.82 -22.52 27.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.501 -178.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.4 p -84.15 -33.89 24.16 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.54 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.8 101.19 9.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.755 0.312 . . . . 0.0 111.438 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.4 m -68.83 99.09 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.41 ' HD2' HG13 ' A' ' 94' ' ' VAL . 13.7 t60 -99.66 27.9 5.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.33 -170.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 72.18 -56.61 0.64 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.67 0.788 . . . . 0.0 110.986 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.4 -19.71 65.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.751 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.1 mm -82.44 124.46 39.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 173.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.9 m -57.28 -66.13 0.51 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.193 0.308 . . . . 0.0 110.882 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 177.87 -53.39 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.576 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -81.22 -25.36 36.75 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -174.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.53 52.08 0.07 OUTLIER Glycine 0 C--O 1.228 -0.279 0 C-N-CA 119.974 -1.108 . . . . 0.0 113.778 175.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.546 HG23 ' HA ' ' A' ' 42' ' ' ASP . 12.8 p -138.42 144.11 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 173.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.1 mt -115.55 117.2 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.703 0.287 . . . . 0.0 110.444 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.559 ' HB ' ' CG ' ' A' ' 110' ' ' PRO . 3.2 mp -104.97 123.28 58.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.075 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.543 ' HB ' HD21 ' A' ' 39' ' ' LEU . 4.2 mp -98.87 129.47 49.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -109.38 99.72 8.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.046 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.577 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -107.33 124.34 49.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.21 0.529 . . . . 0.0 111.035 -177.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -157.68 107.53 2.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.724 178.12 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -145.38 -76.95 0.21 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.469 -176.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.403 ' HB3' HD21 ' A' ' 82' ' ' LEU . 16.4 t80 -114.51 173.82 6.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.595 -172.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 78' ' ' ARG . 2.9 ptm180 -77.04 -3.7 40.46 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.639 -176.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.478 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 50.0 m -97.09 111.48 23.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.969 0.414 . . . . 0.0 110.573 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.441 HE21 ' HB2' ' A' ' 80' ' ' GLN . 1.5 mp0 -62.72 -32.98 74.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.1 -178.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -56.77 -53.95 51.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.271 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.478 ' CD2' ' HB2' ' A' ' 79' ' ' SER . 4.1 pp -65.88 -35.34 80.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.034 0.445 . . . . 0.0 110.495 -177.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.28 -38.56 91.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.673 176.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.3 mtp85 -65.48 -50.12 66.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -59.2 -45.25 91.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.337 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 90' ' ' ARG . . . -66.38 -28.8 68.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 178.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.57 ' HB1' HD21 ' A' ' 39' ' ' LEU . . . -70.62 -46.66 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.928 0.394 . . . . 0.0 110.621 177.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.606 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 79.3 mt -65.01 -48.54 83.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.532 177.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.89 -25.45 68.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.017 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.531 ' HB2' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -65.72 -49.13 69.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.332 177.725 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.3 pp -69.73 -35.48 75.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.497 -176.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 88' ' ' ILE . 85.9 t -62.33 -39.69 85.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.29 177.062 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -63.22 -44.25 95.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.387 177.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.41 HG13 ' HD2' ' A' ' 61' ' ' HIS . 71.2 t -58.07 -43.77 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 178.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 91' ' ' LEU . 82.9 mt -57.41 -42.73 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.065 0.459 . . . . 0.0 110.402 177.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -71.42 -31.73 67.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.556 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 93' ' ' ALA . 57.3 mt-10 -68.54 -28.27 66.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.608 0.242 . . . . 0.0 111.566 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.806 HD22 HD23 ' A' ' 56' ' ' LEU . 10.7 mp -93.39 -30.96 14.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.046 179.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.2 p -77.42 -44.95 27.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.228 -0.295 . . . . 0.0 110.724 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -98.73 153.74 18.5 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 173.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -73.11 91.18 1.6 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 120.923 0.392 . . . . 0.0 110.414 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -124.93 -74.16 0.62 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.982 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 93.0 mttt 57.48 94.61 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.804 0.69 . . . . 0.0 112.305 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.8 t -112.54 172.2 7.06 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -87.77 146.45 25.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.77 0.319 . . . . 0.0 111.099 -177.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -172.81 108.96 0.19 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.49 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.66 84.47 3.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.023 0.439 . . . . 0.0 111.615 -174.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 30.9 m -155.77 104.39 2.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.942 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -113.46 107.88 52.81 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.958 0.409 . . . . 0.0 110.964 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.559 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 62.3 Cg_endo -93.02 132.67 0.94 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.388 2.725 . . . . 0.0 112.08 175.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.514 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 26.6 m -116.1 97.46 6.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.634 -176.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 111' ' ' THR . 52.3 mtt180 -166.85 94.85 0.5 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.135 0.574 . . . . 0.0 110.272 173.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -116.15 151.33 35.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.922 0.391 . . . . 0.0 111.477 -175.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.1 m -118.65 106.22 12.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.508 175.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -119.78 130.18 54.82 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.298 -168.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -154.21 151.17 28.87 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 176.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -142.39 94.39 2.65 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.216 0.322 . . . . 0.0 110.516 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -92.81 148.81 21.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.141 0.496 . . . . 0.0 110.58 174.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.4 pp -129.4 157.06 43.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.851 -178.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.0 m -152.82 120.51 6.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.156 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.3 m -147.09 108.88 4.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.855 0.359 . . . . 0.0 111.164 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' A' ' 122' ' ' LYS . 0.1 OUTLIER -126.51 144.92 50.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.793 176.177 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -138.69 132.02 30.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.798 0.332 . . . . 0.0 111.167 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -130.88 149.52 52.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.296 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -147.27 134.11 20.13 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.2 p -113.22 114.61 26.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.069 0.462 . . . . 0.0 110.824 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.2 m -119.37 105.09 10.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.388 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.27 133.94 55.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.746 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -165.54 118.78 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.162 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.15 109.36 8.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.924 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -111.09 171.39 7.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.992 0.425 . . . . 0.0 110.717 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -149.96 148.61 29.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.039 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -123.08 179.76 16.03 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.819 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -120.48 143.93 48.27 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.2 p -108.66 142.58 20.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.283 0.563 . . . . 0.0 111.688 -174.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -133.01 134.14 44.05 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 171.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -128.85 129.76 23.46 Favored Pre-proline 0 C--N 1.321 -0.667 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.668 -175.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -87.18 166.25 8.17 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 123.18 2.587 . . . . 0.0 112.611 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 57.9 tp -147.93 113.76 5.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.956 177.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -101.93 132.3 47.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.392 0.615 . . . . 0.0 110.778 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 7.2 mp -106.7 6.4 29.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.586 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -66.8 118.82 10.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.522 -173.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -129.63 159.01 37.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.996 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -115.63 170.12 8.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.617 0.246 . . . . 0.0 110.384 -172.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -109.03 130.21 55.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.196 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 27.7 p80 -97.7 149.76 21.94 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -74.53 102.9 4.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.769 0.795 . . . . 0.0 110.317 -177.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 . . . . . 0 C--O 1.246 0.894 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.248 178.003 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.447 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.4 mp -84.99 116.08 27.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 120.94 0.4 . . . . 0.0 110.248 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.46 125.4 46.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.556 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 5' ' ' SER . 31.5 mm -109.31 165.2 5.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.442 ' N ' HG22 ' A' ' 4' ' ' ILE . 14.9 m -60.16 160.92 7.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 173.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 5' ' ' SER . 4.1 mpt_? 65.03 -164.35 0.25 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -175.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -88.77 37.94 0.86 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.887 0.851 . . . . 0.0 110.582 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.9 t -103.69 130.85 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.17 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -142.33 153.71 44.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.413 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 66.0 mt -133.48 133.87 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.656 -175.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.538 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -72.28 151.69 42.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.9 0.381 . . . . 0.0 110.52 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -75.26 -20.54 59.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -173.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -81.88 -5.22 58.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 0.0 110.946 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.538 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 23.9 mm-40 -89.02 -2.6 58.65 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.024 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.429 HD11 HD11 ' A' ' 2' ' ' ILE . 91.4 mt -82.83 136.06 34.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.677 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -85.1 102.55 13.34 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 176.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.9 mm -96.0 117.66 40.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.27 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.29 133.74 55.63 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.288 177.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.35 127.74 34.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.466 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.461 ' O ' ' HB2' ' A' ' 34' ' ' SER . 53.0 mt -75.03 123.14 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.592 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -95.08 -61.29 1.51 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.586 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.534 ' O ' ' HA ' ' A' ' 32' ' ' LYS . . . 56.39 87.72 0.05 Allowed 'General case' 0 C--O 1.234 0.274 0 O-C-N 124.169 0.918 . . . . 0.0 111.913 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -82.19 82.17 7.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.784 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.66 -151.65 21.02 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.51 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 71.12 162.14 0.24 Allowed 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.306 0.642 . . . . 0.0 111.701 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.07 -51.25 4.54 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.162 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.47 -17.82 11.15 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.017 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -89.49 163.09 15.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.828 0.347 . . . . 0.0 110.156 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -79.8 116.35 19.92 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.374 0.607 . . . . 0.0 110.395 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.525 HG13 ' H ' ' A' ' 32' ' ' LYS . 11.0 p -121.65 -28.59 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.805 -178.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.492 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 2.2 m-20 59.08 33.97 23.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.595 176.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 22' ' ' ALA . 16.6 ptpt 55.25 20.05 3.27 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.532 1.133 . . . . 0.0 111.752 -178.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.7 p -128.04 76.8 1.72 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.024 0.44 . . . . 0.0 110.909 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' ' 20' ' ' ILE . 50.9 m -75.3 -51.21 13.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.637 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.5 m 62.78 26.82 15.8 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 123.755 0.66 . . . . 0.0 110.617 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.457 ' HB3' HD12 ' A' ' 20' ' ' ILE . . . -91.85 175.86 6.73 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.596 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.9 mm -99.93 135.72 34.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.799 -173.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.411 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 49.7 t-80 -148.08 133.18 18.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.511 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -139.25 150.45 45.5 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.893 0.378 . . . . 0.0 110.25 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -126.17 123.27 37.87 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.177 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -116.17 109.48 17.51 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.183 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -110.95 158.9 18.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.08 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.0 mp -62.41 -43.3 98.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.264 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.45 HH12 ' CD ' ' A' ' 116' ' ' GLU . 25.5 tpt180 -60.23 -30.15 69.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.767 -174.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.36 -27.87 69.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 p -129.81 -175.65 3.67 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.115 0.484 . . . . 0.0 111.353 -175.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.05 65.51 0.25 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.107 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.6 mt -75.24 144.51 78.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.49 156.03 49.24 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.755 2.303 . . . . 0.0 112.258 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 2.2 mp0 -61.08 -41.2 96.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 0.0 110.669 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -66.42 -22.98 66.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.328 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.472 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -79.36 -44.17 22.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.824 173.894 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -52.82 -41.49 64.25 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.75 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 30.8 mm-40 -54.8 -56.72 16.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.661 -177.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -75.52 -24.63 56.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -171.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.587 ' HA ' HD23 ' A' ' 98' ' ' LEU . 91.2 mt -72.07 -41.72 67.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.754 0.311 . . . . 0.0 111.414 -177.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 57' ' ' LEU . 4.1 mm? -82.57 -17.76 43.73 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -174.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.835 ' HB ' HG23 ' A' ' 108' ' ' THR . 3.1 p -76.12 -34.42 59.46 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.28 117.04 10.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.328 0.585 . . . . 0.0 111.781 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.405 ' HB2' ' HB3' ' A' ' 107' ' ' ALA . 8.4 m -85.38 88.94 7.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.001 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -131.09 136.82 48.74 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -67.79 -5.8 18.12 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -172.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.0 mt -69.83 -26.53 64.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.29 0.567 . . . . 0.0 109.586 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.443 ' CD1' HG12 ' A' ' 70' ' ' ILE . 24.0 mm -85.37 131.43 34.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 174.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.8 m -81.43 -85.35 0.1 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.572 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 68' ' ' GLY . 37.2 t70 -163.93 -38.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.163 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -72.87 20.2 0.08 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 66' ' ' ASP . . . 66.77 38.17 92.87 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.573 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.7 143.8 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 115.592 -0.304 . . . . 0.0 110.232 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.443 HG12 ' CD1' ' A' ' 64' ' ' ILE . 40.6 mt -94.29 119.56 42.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.034 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.5 mp -104.29 118.46 51.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.297 0.57 . . . . 0.0 110.191 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.9 mm -118.7 129.19 75.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.069 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -117.44 152.97 33.91 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 173.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.91 126.55 8.82 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.862 0.363 . . . . 0.0 111.497 -177.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -154.87 102.18 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.76 0.79 . . . . 0.0 110.016 173.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -117.47 -75.16 0.58 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.535 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.675 ' HB3' HD21 ' A' ' 82' ' ' LEU . 20.4 t80 -103.86 172.66 6.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 173.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.429 ' C ' ' HD2' ' A' ' 78' ' ' ARG . 7.5 ppt_? -82.21 -1.68 49.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.713 0.292 . . . . 0.0 111.78 -175.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.504 ' HB2' HD23 ' A' ' 82' ' ' LEU . 20.0 m -84.65 108.57 17.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.917 0.389 . . . . 0.0 110.669 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 81' ' ' GLU . 5.5 pm0 -55.76 -41.52 74.11 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -174.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.405 ' N ' ' HG2' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -58.24 -45.95 86.83 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -175.711 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.675 HD21 ' HB3' ' A' ' 77' ' ' PHE . 3.5 pp -68.99 -34.51 75.42 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.099 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -65.14 -39.59 93.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.169 175.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.3 ttm-85 -57.82 -54.42 47.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.136 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.34 -38.15 79.63 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.986 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.76 94.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.701 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.1 -43.63 94.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.635 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.55 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 89.3 mt -61.26 -49.48 84.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.312 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.58 -40.26 82.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.01 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 94' ' ' VAL . 12.4 mmt180 -61.52 -51.43 68.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.812 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.6 pp -64.72 -39.04 92.97 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.725 -176.388 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.433 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 96.2 t -64.6 -42.49 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.277 177.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.27 -43.37 92.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.858 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.503 ' O ' HD13 ' A' ' 98' ' ' LEU . 93.1 t -62.07 -45.12 99.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.138 176.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 45.9 mt -52.56 -46.77 49.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 176.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' ' 92' ' ' VAL . 9.0 mtpp -64.93 -27.86 69.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.409 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -77.51 -29.49 52.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.173 0.511 . . . . 0.0 110.923 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.587 HD23 ' HA ' ' A' ' 56' ' ' LEU . 10.2 mp -90.58 -43.46 10.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.315 -176.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 55.2 p -89.85 -17.78 27.45 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -170.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.72 143.46 48.01 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.707 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -79.24 63.18 3.81 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.546 0.688 . . . . 0.0 110.643 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -120.3 116.91 26.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.036 -177.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -63.6 169.92 3.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.445 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.2 m 63.09 40.81 8.72 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.98 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -76.85 -174.48 3.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.626 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -74.55 175.71 7.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.077 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 60' ' ' SER . . . -54.79 150.22 10.14 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.286 -177.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.835 HG23 ' HB ' ' A' ' 58' ' ' THR . 95.0 m -131.91 135.27 46.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.515 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -139.06 153.01 71.16 Favored Pre-proline 0 C--N 1.331 -0.228 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 176.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.64 136.77 31.45 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.62 2.213 . . . . 0.0 112.771 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.494 ' C ' ' HD2' ' A' ' 112' ' ' ARG . 4.6 t -164.74 83.79 0.4 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.689 0.757 . . . . 0.0 111.213 177.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.494 ' HD2' ' C ' ' A' ' 111' ' ' THR . 3.9 mpt_? -138.73 111.26 7.56 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 174.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -138.8 7.89 2.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.8 t -157.2 147.02 20.61 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.521 -0.471 . . . . 0.0 111.394 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -139.43 134.88 32.99 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.153 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.45 ' CD ' HH12 ' A' ' 44' ' ' ARG . 44.8 tt0 -89.37 122.36 32.51 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.944 175.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -147.84 103.51 3.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.064 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -115.45 -54.43 2.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.25 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 10.8 mp 64.65 97.76 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 O-C-N 124.031 0.832 . . . . 0.0 110.983 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.2 m -73.87 94.85 2.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.957 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 31.4 t -138.24 131.85 30.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.092 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -118.8 110.96 17.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.33 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -158.74 147.88 18.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.078 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -143.92 122.29 12.35 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -155.88 145.09 20.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.72 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 68.6 m -152.77 108.58 3.33 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.268 0.556 . . . . 0.0 110.596 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.7 m -94.08 110.89 22.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.997 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.4 m -135.99 139.04 46.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 120.933 0.397 . . . . 0.0 111.972 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -144.02 126.68 16.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.542 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -98.14 144.08 27.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.515 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -146.57 120.05 9.07 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -116.5 132.4 56.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.52 110.79 0.46 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.277 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -140.04 95.66 2.93 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.9 171.94 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.26 0.552 . . . . 0.0 111.858 -174.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -142.19 118.76 10.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.196 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 137' ' ' ARG . 6.9 tpt180 -120.62 98.69 48.02 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-O 120.928 0.394 . . . . 0.0 110.665 -177.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -92.15 121.07 0.55 Allowed 'Trans proline' 0 N--CA 1.45 -1.078 0 C-N-CA 123.282 2.654 . . . . 0.0 112.297 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.446 ' O ' HD12 ' A' ' 139' ' ' LEU . 3.2 pp -126.33 141.01 52.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.138 175.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -113.92 151.81 31.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.105 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 87.7 mt -124.5 126.46 45.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.033 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -93.2 147.34 22.97 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.174 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -155.47 107.72 2.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.343 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -173.67 136.51 0.57 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 177.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -134.3 146.22 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.76 -176.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -152.36 93.4 1.8 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.733 0.777 . . . . 0.0 109.973 171.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -132.6 116.74 17.06 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.522 -177.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.751 178.652 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.467 ' SD ' ' HA ' ' A' ' 11' ' ' ALA . 13.1 tpt . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.438 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.9 mp -107.6 119.21 56.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.987 0.422 . . . . 0.0 110.477 -175.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.83 118.67 33.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.72 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.577 HG13 HD13 ' A' ' 10' ' ' ILE . 41.1 mm -109.4 165.7 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.456 ' N ' HG22 ' A' ' 4' ' ' ILE . 9.5 t -64.3 157.54 25.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.758 ' HG2' ' H ' ' A' ' 7' ' ' THR . 14.6 ttm180 69.94 -176.54 0.2 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -175.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.758 ' H ' ' HG2' ' A' ' 6' ' ' ARG . 8.9 t -77.25 13.34 1.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -176.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.452 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 45.8 t -104.4 114.11 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.99 0.424 . . . . 0.0 110.952 -175.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.5 m -108.27 150.77 26.85 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 175.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.577 HD13 HG13 ' A' ' 4' ' ' ILE . 1.6 mp -113.09 135.9 51.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.76 0.314 . . . . 0.0 110.262 -175.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.467 ' HA ' ' SD ' ' A' ' 1' ' ' MET . . . -76.37 152.13 36.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.92 -178.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.1 -15.64 62.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.013 0.435 . . . . 0.0 110.93 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -78.42 -11.61 59.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.555 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -78.97 -25.54 43.47 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.018 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -83.03 129.98 35.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.226 -176.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.584 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 68.1 mm-40 -83.34 114.05 21.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.095 174.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mm -99.2 124.52 52.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.499 -174.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.83 149.46 35.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.743 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.68 145.85 24.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 176.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 53.6 mt -97.93 117.7 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.958 0.408 . . . . 0.0 111.157 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.454 ' HG3' ' HB2' ' A' ' 34' ' ' SER . 40.1 ttm180 -153.75 78.84 1.14 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.159 174.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.54 4.25 16.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.283 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.427 ' HG2' ' H ' ' A' ' 24' ' ' GLY . 5.2 tt0 63.22 -154.66 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -176.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.427 ' H ' ' HG2' ' A' ' 23' ' ' GLN . . . -154.71 158.95 28.64 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.296 -0.954 . . . . 0.0 112.29 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.88 175.1 10.68 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.05 31.2 26.56 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.529 -0.843 . . . . 0.0 111.741 -175.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.71 170.25 25.07 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -101.35 165.95 11.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 117.032 0.416 . . . . 0.0 110.601 176.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 65.21 15.44 10.01 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.918 -177.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 t -92.31 124.77 44.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -170.36 -30.51 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.418 -0.81 . . . . 0.0 108.857 -175.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -62.09 177.94 0.42 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 114.979 -1.009 . . . . 0.0 111.207 174.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.3 m 72.17 18.18 4.83 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 122.019 0.914 . . . . 0.0 109.285 -175.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.454 ' HB2' ' HG3' ' A' ' 21' ' ' ARG . 26.2 p -88.25 14.9 8.43 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.094 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.6 m -148.02 94.69 2.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.968 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.55 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -148.8 164.59 33.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.139 178.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.48 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 50.5 mm -99.74 134.59 38.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.252 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.463 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 29.9 t-80 -130.14 136.12 48.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.433 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.584 ' HA ' ' O ' ' A' ' 16' ' ' GLU . 2.5 pt? -142.83 150.07 39.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.248 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.41 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 35.5 mmt180 -118.66 149.68 41.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.224 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -161.91 115.01 1.81 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.818 ' HB3' ' HB ' ' A' ' 69' ' ' VAL . 2.7 p30 -125.5 162.2 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.16 0.505 . . . . 0.0 111.495 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.559 HD11 ' HB2' ' A' ' 56' ' ' LEU . 32.2 mt -58.46 -43.27 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.545 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.422 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 2.8 mpt_? -60.87 -38.2 84.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.059 -174.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.748 ' HB2' ' HA ' ' A' ' 115' ' ' LYS . . . -58.82 -59.56 5.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.054 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.754 ' HA ' ' HA ' ' A' ' 118' ' ' ARG . 24.8 m -90.97 -160.51 0.72 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.849 -176.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.64 64.42 0.55 Allowed Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.639 -0.584 . . . . 0.0 111.639 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 90.3 mt -74.43 147.48 85.08 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 120.541 0.21 . . . . 0.0 111.207 -176.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 24.2 Cg_exo -64.29 146.83 90.71 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.694 2.263 . . . . 0.0 111.729 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.771 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 12.4 pt-20 -62.44 -27.48 69.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.419 -175.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -57.41 -42.14 81.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.036 0.446 . . . . 0.0 110.126 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.424 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 78.7 m-85 -81.42 -36.94 28.88 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.217 177.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.771 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 43.7 tttm -53.65 -50.81 64.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.706 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 11.2 mm100 -63.65 -42.95 98.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.568 0.223 . . . . 0.0 111.053 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -60.34 -37.55 81.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.54 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.629 HD23 ' HG ' ' A' ' 98' ' ' LEU . 97.6 mt -76.02 -35.54 59.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.374 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.3 mt -70.63 -46.63 62.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.655 0.264 . . . . 0.0 111.074 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 m -72.34 -61.92 1.62 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 54.48 179.26 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.1 t -173.08 28.91 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.061 -1.427 . . . . 0.0 107.172 176.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.772 ' HB3' HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -127.59 129.33 47.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.555 -1.202 . . . . 0.0 109.401 -173.678 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -82.12 45.21 0.91 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.937 0.875 . . . . 0.0 111.241 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.772 HD23 ' HB3' ' A' ' 61' ' ' HIS . 2.3 mm? -111.6 -18.01 12.9 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.251 -1.341 . . . . 0.0 109.168 169.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.7 mm -82.66 136.46 22.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.023 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 1.054 ' HB3' HG13 ' A' ' 69' ' ' VAL . 40.6 t -79.04 -46.28 18.45 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.206 -178.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' SER . 28.5 t70 175.53 -76.66 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.47 0.481 . . . . 0.0 111.443 174.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -83.6 51.27 1.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.528 0.68 . . . . 0.0 111.014 -170.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.42 26.72 73.73 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.116 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 1.054 HG13 ' HB3' ' A' ' 65' ' ' SER . 3.1 p -113.58 142.69 25.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 55.9 mt -96.24 139.76 18.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.426 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.5 tp -124.21 116.23 47.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.502 0.668 . . . . 0.0 110.149 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.538 ' HB ' HD21 ' A' ' 39' ' ' LEU . 46.8 mm -125.21 139.66 50.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.661 -178.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.48 157.26 22.21 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 171.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.48 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -152.2 123.47 7.69 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.827 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.402 ' O ' ' HG3' ' A' ' 75' ' ' GLN . 3.9 pt20 -166.38 104.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.583 0.706 . . . . 0.0 109.945 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -114.17 -69.24 0.87 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.562 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -111.95 -85.25 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.775 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -166.86 -21.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.93 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.2 m -69.8 110.57 5.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.585 0.231 . . . . 0.0 110.438 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -56.35 -35.86 68.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.704 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -50.72 -53.05 34.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.67 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -43.7 94.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.76 -174.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -71.71 -35.25 70.17 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.511 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -64.61 -50.85 65.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.389 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -53.9 -47.07 71.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.213 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.35 -45.78 92.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.957 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.54 -45.89 84.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 111.162 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.553 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 85.1 mt -63.67 -50.08 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.759 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.61 89.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.656 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 94' ' ' VAL . 99.5 mtt180 -66.85 -39.81 87.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.702 -178.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 2.4 pp -68.43 -37.17 80.03 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.336 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 88' ' ' ILE . 96.4 t -63.17 -42.32 96.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 121.153 0.501 . . . . 0.0 110.0 176.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.07 -38.93 93.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.743 177.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.644 HG22 ' HG ' ' A' ' 63' ' ' LEU . 55.9 t -61.42 -44.65 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.067 178.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 91' ' ' LEU . 82.0 mt -57.57 -42.23 80.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.903 0.382 . . . . 0.0 110.624 178.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -70.35 -36.27 74.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.313 0.578 . . . . 0.0 110.487 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.623 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 3.0 mm-40 -58.7 -41.24 85.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.36 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.629 ' HG ' HD23 ' A' ' 56' ' ' LEU . 4.0 mm? -68.64 -26.33 65.28 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -177.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.8 p -89.33 -13.79 37.11 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.808 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -101.73 153.36 19.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.749 0.309 . . . . 0.0 110.984 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -77.08 75.96 3.64 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.015 0.436 . . . . 0.0 110.152 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -142.89 -175.82 4.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.4 -0.818 . . . . 0.0 108.826 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.614 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 39.6 ttpt -163.07 121.88 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.131 0.491 . . . . 0.0 110.743 173.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.8 m -132.4 152.62 51.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.981 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -136.54 131.98 34.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.684 -175.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.13 -56.08 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.268 -176.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -113.23 166.01 11.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.768 0.318 . . . . 0.0 111.759 -174.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' ' 109' ' ' ARG . 34.9 m -162.87 142.94 9.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 119.068 -0.492 . . . . 0.0 109.681 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.555 ' HB2' ' HD3' ' A' ' 110' ' ' PRO . 35.4 mtm180 109.65 -64.57 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.585 0 C-N-CA 125.157 1.383 . . . . 0.0 114.423 170.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.555 ' HD3' ' HB2' ' A' ' 109' ' ' ARG . 34.4 Cg_exo -61.43 110.3 0.89 Allowed 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 121.811 1.674 . . . . 0.0 113.537 -171.193 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.649 ' HA ' ' OG ' ' A' ' 65' ' ' SER . 41.0 m -117.84 118.81 33.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.919 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -177.23 140.05 0.28 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.793 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -99.39 173.19 6.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.758 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.522 ' HB3' ' HG3' ' A' ' 16' ' ' GLU . 51.6 m -153.18 43.92 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.347 0.594 . . . . 0.0 109.806 178.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.748 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -71.7 -169.73 0.47 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.877 -1.056 . . . . 0.0 113.404 -172.492 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.556 ' HG2' ' HD3' ' A' ' 115' ' ' LYS . 67.6 mm-40 70.76 71.25 0.19 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.781 -175.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.602 ' HE ' ' HA ' ' A' ' 117' ' ' ARG . 3.0 mmp_? -142.8 -99.45 0.12 Allowed 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 175.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.754 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 8.1 tmm_? 78.81 104.94 0.07 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.271 1.029 . . . . 0.0 112.049 173.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 56.4 tp -166.39 105.36 0.64 Allowed 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 113.649 -1.614 . . . . 0.0 109.495 176.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.2 m -122.79 142.41 50.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.4 t -107.25 -176.34 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.079 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -154.98 118.66 4.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.523 -171.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.08 152.06 35.53 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.738 0.304 . . . . 0.0 111.026 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -162.59 124.59 2.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.122 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 119.32 2.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.442 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.3 p -121.89 148.02 45.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.728 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.4 m -131.24 130.73 43.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.623 0.249 . . . . 0.0 110.987 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 24.7 m -136.6 148.82 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.461 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -146.91 176.4 9.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.758 178.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -141.62 158.68 43.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.989 0.423 . . . . 0.0 111.421 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -139.54 179.92 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.056 178.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -136.7 158.16 45.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.499 0.19 . . . . 0.0 110.568 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.28 -174.15 28.7 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.473 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -144.6 133.16 22.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.682 0.277 . . . . 0.0 110.284 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.7 m -101.17 168.11 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.034 0.445 . . . . 0.0 111.766 -175.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.417 ' O ' ' HD3' ' A' ' 138' ' ' PRO . 60.5 ttt180 -140.24 148.13 41.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.512 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -107.29 100.46 33.41 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.659 0.266 . . . . 0.0 110.41 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 136' ' ' ARG . 10.0 Cg_endo -91.0 128.61 1.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.26 2.64 . . . . 0.0 112.425 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -144.95 140.12 28.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.297 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -125.39 152.88 44.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -97.89 174.53 6.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.998 0.428 . . . . 0.0 110.938 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -107.16 168.46 9.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.514 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 -143.8 101.15 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.659 0.742 . . . . 0.0 110.23 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -104.74 137.58 42.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.179 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -130.75 159.86 36.03 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.037 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -90.76 153.06 20.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.995 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -148.44 150.65 33.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.705 0.288 . . . . 0.0 110.371 174.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 82.0 t60 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.533 -0.746 . . . . 0.0 109.499 174.088 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttt . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.492 HD11 ' HB3' ' A' ' 12' ' ' ASP . 46.8 mm -94.54 125.02 47.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.659 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.11 101.83 13.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.046 0.451 . . . . 0.0 110.842 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.55 ' HB ' ' O ' ' A' ' 8' ' ' VAL . 34.7 mm -88.83 161.38 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 176.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.459 ' O ' ' HB3' ' A' ' 6' ' ' ARG . 4.1 p -63.29 169.55 3.54 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.66 0.266 . . . . 0.0 111.384 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.472 ' HG2' ' OG1' ' A' ' 7' ' ' THR . 36.8 ttt-85 73.86 -80.79 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.698 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.472 ' OG1' ' HG2' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -169.99 -32.82 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.934 0.397 . . . . 0.0 110.976 -174.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.55 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 7.7 p -60.98 132.86 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.998 -175.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -119.45 155.24 32.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.676 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.0 mt -130.12 147.8 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.16 -178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.69 125.2 33.0 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 174.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.495 ' HA ' ' HG ' ' A' ' 15' ' ' LEU . 5.9 p-10 -72.74 -5.62 39.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.241 0.543 . . . . 0.0 111.127 -178.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -75.84 -18.72 59.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.076 176.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -86.4 -9.39 56.42 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.426 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' HG ' ' HA ' ' A' ' 12' ' ' ASP . 85.0 mt -69.29 135.19 50.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.091 0.472 . . . . 0.0 111.509 -174.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 40' ' ' ARG . 51.2 mt-10 -85.85 94.61 9.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.906 -178.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.4 mm -87.36 123.48 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.56 149.57 24.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.851 0.358 . . . . 0.0 110.834 -173.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.55 108.84 20.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.683 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.501 HD11 ' HB2' ' A' ' 38' ' ' HIS . 36.9 mt -75.72 125.17 35.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.847 -175.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.429 ' HA ' ' HD2' ' A' ' 21' ' ' ARG . 22.1 tpt180 -108.3 -23.84 11.74 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 175.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.812 ' HB1' ' HB3' ' A' ' 32' ' ' LYS . . . 67.6 27.53 7.73 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.116 174.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -82.51 134.82 35.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.382 177.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.84 127.39 1.24 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.529 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.14 108.57 2.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.93 0.395 . . . . 0.0 111.227 -176.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.35 -140.94 3.3 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.176 -0.535 . . . . 0.0 111.82 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.55 -98.24 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.253 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -103.77 171.31 7.43 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.537 0.208 . . . . 0.0 110.729 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 69.29 -1.9 2.03 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.949 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.51 134.08 59.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 174.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.793 ' HB3' ' HA ' ' A' ' 111' ' ' THR . 29.2 p-10 -106.93 123.58 48.37 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.508 0.67 . . . . 0.0 110.715 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.812 ' HB3' ' HB1' ' A' ' 22' ' ' ALA . 40.0 mtmt -123.1 124.31 42.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.31 177.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 t -149.86 132.6 15.93 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.824 0.345 . . . . 0.0 110.705 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.0 m -78.32 -26.4 46.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.161 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.8 m -86.44 63.32 7.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.49 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.9 164.97 38.09 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.384 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.5 mm -111.34 133.2 57.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.803 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.501 ' HB2' HD11 ' A' ' 20' ' ' ILE . 60.4 t-80 -130.47 128.28 40.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.698 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.4 pt? -131.0 150.27 52.23 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.711 0.291 . . . . 0.0 110.254 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.432 ' CG ' HG21 ' A' ' 69' ' ' VAL . 71.0 ttt-85 -122.3 114.9 21.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.127 -178.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.462 ' HZ ' HD21 ' A' ' 48' ' ' LEU . 78.5 t80 -118.13 102.3 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -97.72 145.88 25.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.269 -174.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.685 ' HA ' HD12 ' A' ' 48' ' ' LEU . 51.4 mt -72.39 -47.72 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.033 -178.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -71.65 -35.41 70.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.036 -174.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.19 -29.4 66.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.193 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 t -98.19 176.76 5.62 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.226 0.536 . . . . 0.0 110.174 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.7 53.53 0.71 Allowed Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.505 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.685 HD12 ' HA ' ' A' ' 43' ' ' ILE . 88.1 mt -75.67 145.39 78.51 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.858 0.361 . . . . 0.0 111.2 -176.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 38.5 Cg_exo -61.53 147.85 94.43 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.985 2.457 . . . . 0.0 112.198 177.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.414 ' HA ' ' HE3' ' A' ' 53' ' ' LYS . 36.7 mt-10 -59.25 -37.73 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.879 -177.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -61.45 -39.19 89.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.305 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.443 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 54.3 m-85 -77.18 -36.7 54.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.807 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' A' ' 50' ' ' GLU . 24.6 ttpp -51.54 -57.22 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.509 -178.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -58.81 -43.21 90.55 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.422 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 25.4 mmt180 -62.45 -39.33 93.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.581 HD23 HD22 ' A' ' 98' ' ' LEU . 95.6 mt -63.22 -28.08 69.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.005 0.431 . . . . 0.0 111.123 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.1 mt -91.47 -19.75 22.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.848 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.422 ' OG1' ' HA ' ' A' ' 55' ' ' ARG . 3.9 p -96.01 -43.43 7.79 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -176.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.45 111.95 15.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.046 0.45 . . . . 0.0 110.129 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.3 m -80.52 78.36 7.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.498 0.665 . . . . 0.0 110.785 -174.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.47 131.24 37.06 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -73.62 59.19 0.62 Allowed 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 mp -143.59 -9.6 0.73 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.605 171.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.8 mm -73.16 130.25 35.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.758 ' HB2' ' HB ' ' A' ' 71' ' ' ILE . 34.7 t -82.98 -83.43 0.14 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.351 -175.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 68' ' ' GLY . 15.2 t70 -164.16 -40.48 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.808 0.337 . . . . 0.0 111.413 -177.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.67 -1.27 1.77 Allowed 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.768 -178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 66' ' ' ASP . . . 81.73 35.31 22.58 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 -164.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.451 HG13 ' HB3' ' A' ' 65' ' ' SER . 8.2 p -124.96 145.79 31.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 114.124 -1.038 . . . . 0.0 110.614 -171.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.2 mt -85.04 122.87 38.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.758 ' HB ' ' HB2' ' A' ' 65' ' ' SER . 1.1 tp -121.01 135.18 62.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.131 0.491 . . . . 0.0 110.38 -176.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.698 ' HB ' HD21 ' A' ' 39' ' ' LEU . 5.0 mp -128.8 124.42 61.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.277 177.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -103.81 97.03 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 170.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.96 135.96 35.85 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.765 -173.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -152.8 104.15 2.84 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.27 178.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.49 ' HB3' HD21 ' A' ' 83' ' ' ASN . 3.4 tm-20 -94.05 -86.28 0.27 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.231 178.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -146.85 -51.1 0.21 Allowed 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.233 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -158.23 -36.46 0.07 Allowed 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -172.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 t -73.57 106.94 5.56 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.153 -0.342 . . . . 0.0 111.518 -173.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -35.76 81.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.308 0.575 . . . . 0.0 109.606 177.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -58.83 -49.67 76.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.162 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 tp -71.7 -32.44 67.82 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.316 -177.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.49 HD21 ' HB3' ' A' ' 76' ' ' GLU . 13.1 m-80 -63.28 -35.23 79.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.5 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -60.92 -53.75 53.4 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.153 0.501 . . . . 0.0 110.373 173.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -57.12 -43.94 82.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.482 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.583 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -67.39 -45.32 76.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.14 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.64 -47.17 86.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.76 0.314 . . . . 0.0 111.192 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.625 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.6 mt -64.13 -49.39 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.803 178.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.06 75.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.477 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.583 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 8.7 mpt_? -62.02 -45.82 91.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.605 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.3 pp -69.6 -36.28 76.06 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.068 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 88' ' ' ILE . 96.8 t -63.64 -33.06 59.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.053 0.454 . . . . 0.0 110.366 176.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.444 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -71.02 -41.35 70.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.543 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 90' ' ' ARG . 75.2 t -57.32 -42.74 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 120.916 0.389 . . . . 0.0 110.399 177.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 91' ' ' LEU . 94.6 mt -55.7 -35.87 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.701 177.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -81.59 -34.42 31.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.685 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.496 ' HG2' ' HB3' ' A' ' 102' ' ' GLN . 50.9 mt-10 -66.32 -33.36 75.55 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 111.505 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.581 HD22 HD23 ' A' ' 56' ' ' LEU . 11.0 mp -81.41 -15.57 54.77 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 p -99.1 -52.55 3.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.957 0.408 . . . . 0.0 110.484 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -101.53 111.77 24.12 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 170.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -53.63 102.95 0.07 Allowed 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.586 0.707 . . . . 0.0 111.719 -169.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.496 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 52.5 tt0 -132.11 140.66 48.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.154 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -115.65 136.68 52.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.153 0.502 . . . . 0.0 111.257 -173.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 m -88.81 18.41 4.79 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.568 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.464 ' HB3' ' H ' ' A' ' 106' ' ' ARG . 0.4 OUTLIER 65.53 -86.49 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.364 0.666 . . . . 0.0 109.694 -176.384 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.482 ' HD3' ' HA ' ' A' ' 106' ' ' ARG . 12.4 mmt180 -164.85 131.45 2.93 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 123.265 0.626 . . . . 0.0 109.398 174.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.71 117.14 27.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.873 0.368 . . . . 0.0 111.174 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.4 m -107.44 123.64 48.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.231 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.496 ' H ' ' HD3' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -124.79 142.04 39.79 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.32 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 109' ' ' ARG . 16.0 Cg_exo -68.54 153.06 74.43 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.824 2.35 . . . . 0.0 111.582 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.793 ' HA ' ' HB3' ' A' ' 31' ' ' ASN . 42.5 p -128.05 -171.11 2.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.967 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 75.88 145.83 0.09 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.005 0.815 . . . . 0.0 110.939 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.688 ' HB2' ' H ' ' A' ' 32' ' ' LYS . . . -157.08 -85.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.271 178.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.6 t -177.35 167.69 2.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.547 -176.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -124.79 121.2 33.93 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.515 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.19 143.25 50.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.129 0.49 . . . . 0.0 110.432 175.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.93 150.99 39.59 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.417 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -152.84 147.45 26.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.784 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.0 tt -141.69 125.25 16.76 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.0 m -136.04 112.7 10.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.262 177.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.0 m -134.24 113.77 12.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.4 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -140.78 140.17 34.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -151.71 120.82 6.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.862 0.363 . . . . 0.0 111.053 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 28.1 pt20 -117.98 136.88 53.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.215 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -159.11 113.07 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.9 p -155.36 133.05 11.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 28.8 p -139.89 175.46 9.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.841 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.0 p -147.42 129.73 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.247 0.546 . . . . 0.0 111.256 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -132.93 116.69 16.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.681 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.01 113.06 11.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.416 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 56.9 tp -122.88 135.4 54.5 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -115.02 147.55 39.97 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.049 174.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.83 152.26 24.13 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.437 ' O ' ' HD2' ' A' ' 134' ' ' LYS . 0.1 OUTLIER -142.3 146.78 35.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.165 0.507 . . . . 0.0 111.4 -179.043 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.14 133.78 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.295 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.44 121.81 4.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.04 0.448 . . . . 0.0 111.8 -177.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 138' ' ' PRO . 13.3 ttp180 -158.64 116.42 1.72 Allowed Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.678 172.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 137' ' ' ARG . 23.3 Cg_exo -64.58 150.92 87.41 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.035 2.49 . . . . 0.0 112.486 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.9 tt -109.93 105.39 14.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.839 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -105.25 131.95 52.07 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 49.8 tp -133.47 136.16 44.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.309 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.16 170.05 9.38 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.277 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -120.67 75.02 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.805 0.336 . . . . 0.0 110.178 -178.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -70.26 158.4 35.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.354 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -112.33 103.52 11.64 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.488 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -69.73 149.47 47.98 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -123.55 157.07 34.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.119 0.485 . . . . 0.0 111.363 -175.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 38.7 m80 . . . . . 0 C--O 1.246 0.899 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 170.926 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.52 ' HA ' ' HB2' ' A' ' 12' ' ' ASP . 19.3 ptm . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 42.2 mm -97.75 95.81 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.45 114.69 26.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.065 -174.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.549 ' HB ' ' O ' ' A' ' 8' ' ' VAL . 20.0 mm -109.64 165.14 5.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.409 ' N ' HG22 ' A' ' 4' ' ' ILE . 50.2 m -71.34 174.62 6.26 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 175.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.77 ' HG3' ' H ' ' A' ' 7' ' ' THR . 8.7 tpt180 67.51 -165.18 0.21 Allowed 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -175.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.77 ' H ' ' HG3' ' A' ' 6' ' ' ARG . 10.6 t -91.35 18.14 7.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.207 0.527 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.549 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 40.9 t -112.65 123.87 68.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.997 -177.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.0 m -147.92 161.29 41.61 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 4.3 mp -117.11 144.24 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -175.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.534 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -61.23 154.32 23.84 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 110.798 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.52 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 13.4 t70 -65.45 -48.78 71.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -170.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -89.58 19.39 4.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.05 0.452 . . . . 0.0 111.243 -171.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.534 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 19.3 mm-40 -79.16 -37.56 38.1 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.871 0.367 . . . . 0.0 110.925 176.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.548 HD21 ' HD1' ' A' ' 41' ' ' PHE . 68.7 mt -85.49 138.43 32.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.586 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -88.03 131.41 34.66 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.27 0.557 . . . . 0.0 110.816 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.499 HD13 ' HB3' ' A' ' 39' ' ' LEU . 41.5 mm -103.39 111.92 34.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.534 177.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.95 151.18 26.15 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 36' ' ' ALA . . . -82.72 130.92 35.2 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.609 HG12 ' HB2' ' A' ' 38' ' ' HIS . 56.2 mt -67.01 113.53 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.363 0.601 . . . . 0.0 110.551 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -98.57 49.43 0.98 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 122.081 0.943 . . . . 0.0 109.009 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.4 -179.05 4.77 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.097 -1.41 . . . . 0.0 108.52 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 24' ' ' GLY . 60.1 tp60 69.14 164.25 0.24 Allowed 'General case' 0 CA--C 1.536 0.427 0 O-C-N 123.716 0.635 . . . . 0.0 110.567 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' A' ' 23' ' ' GLN . . . -173.34 -157.9 16.24 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 121.039 -0.601 . . . . 0.0 111.667 178.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.18 127.97 21.86 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.54 99.4 1.34 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.837 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.83 -81.21 0.17 Allowed Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.471 -0.651 . . . . 0.0 111.471 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -123.14 -177.58 3.73 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.591 ' HB3' ' HB3' ' A' ' 32' ' ' LYS . 37.1 m80 -108.2 94.52 5.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.7 0.762 . . . . 0.0 110.44 176.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.0 p -86.29 -37.77 11.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.457 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.473 ' HB3' HE22 ' A' ' 75' ' ' GLN . 28.2 p-10 -109.59 38.11 2.44 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.143 -178.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.591 ' HB3' ' HB3' ' A' ' 29' ' ' HIS . 24.4 pttm -57.02 137.85 55.16 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.018 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.2 m 71.66 125.68 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.797 0.686 . . . . 0.0 109.982 -171.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -52.41 104.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.659 -176.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.6 t -133.49 0.96 3.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.585 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -78.14 159.11 28.81 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.564 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 46.6 mm -100.14 122.22 51.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-O 121.648 0.737 . . . . 0.0 112.258 -170.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.609 ' HB2' HG12 ' A' ' 20' ' ' ILE . 13.3 t-80 -127.1 108.26 10.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.821 173.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.576 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.7 pt? -116.08 148.18 40.5 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 40' ' ' ARG . 10.4 ptm180 -115.0 120.49 40.07 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.171 -0.612 . . . . 0.0 111.368 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.548 ' HD1' HD21 ' A' ' 15' ' ' LEU . 90.3 t80 -120.35 105.98 11.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.676 177.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.47 ' HB3' HG23 ' A' ' 69' ' ' VAL . 5.5 p-10 -117.3 154.68 30.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.132 0.491 . . . . 0.0 111.031 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 56' ' ' LEU . 2.1 mp -59.13 -42.09 85.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.88 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -63.98 -8.03 10.29 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.17 -4.19 32.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.3 t -137.55 138.79 39.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.111 0.481 . . . . 0.0 110.849 -176.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.09 64.07 3.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.195 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 mt -75.96 150.04 83.2 Favored Pre-proline 0 C--N 1.318 -0.765 0 C-N-CA 122.408 0.283 . . . . 0.0 111.407 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.55 145.04 99.18 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.795 2.33 . . . . 0.0 111.306 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 0.9 OUTLIER -60.32 -40.28 90.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.25 0.834 . . . . 0.0 113.25 -168.909 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -60.53 -51.28 70.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.887 0.375 . . . . 0.0 111.259 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.448 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 60.4 m-85 -65.77 -37.2 85.68 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.109 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -58.05 -41.03 82.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.255 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 13.1 mm-40 -63.44 -46.03 88.19 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.026 0.441 . . . . 0.0 110.636 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -63.44 -36.96 85.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.854 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.565 ' HA ' HD23 ' A' ' 98' ' ' LEU . 92.3 mt -74.62 -28.68 60.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.278 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.0 mt -75.47 -41.91 54.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.716 0.293 . . . . 0.0 111.06 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.6 p -68.8 -47.8 65.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.903 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.963 ' HA ' ' HG ' ' A' ' 98' ' ' LEU . . . 60.1 -167.28 0.18 Allowed 'General case' 0 C--O 1.232 0.173 0 O-C-N 123.804 0.69 . . . . 0.0 112.142 175.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.7 t -169.46 27.59 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.524 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -148.15 155.33 41.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.402 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.99 12.42 0.87 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -174.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.491 HD22 HG21 ' A' ' 94' ' ' VAL . 6.9 mp -83.01 -7.37 59.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.874 0.369 . . . . 0.0 110.921 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.0 mm -80.79 131.64 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.892 174.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.543 ' HB2' HD13 ' A' ' 71' ' ' ILE . 34.8 t -92.96 -80.17 0.38 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.511 -177.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.4 -85.38 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.267 -172.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -87.24 -85.23 0.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.994 0.426 . . . . 0.0 110.735 -177.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -139.61 56.95 0.62 Allowed Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.537 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.47 HG23 ' HB3' ' A' ' 42' ' ' ASP . 7.3 p -120.37 141.73 39.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.874 0.369 . . . . 0.0 110.322 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.2 mp -107.4 119.84 57.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.483 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' A' ' 65' ' ' SER . 1.9 mp -102.0 118.13 48.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.191 0.519 . . . . 0.0 110.215 178.09 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.641 HG13 ' HB3' ' A' ' 91' ' ' LEU . 45.6 mm -99.68 115.84 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.725 177.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -96.96 119.64 35.81 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.199 176.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.564 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -120.32 124.19 44.97 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.038 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.473 HE22 ' HB3' ' A' ' 31' ' ' ASN . 41.7 tp60 -153.43 102.37 2.58 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -125.56 -58.86 1.4 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.058 -177.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -167.02 -164.47 0.62 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -176.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 78' ' ' ARG . 13.6 ptt180 -70.69 -174.34 0.89 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.674 0.215 . . . . 0.0 110.765 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.6 m 68.31 85.16 0.14 Allowed 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.597 0.713 . . . . 0.0 111.095 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -57.49 -26.03 60.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.389 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -56.99 -53.6 56.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.753 0.311 . . . . 0.0 111.337 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.616 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 2.1 pp -72.94 -29.61 63.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.219 -177.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -65.31 -40.81 94.23 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.457 ' O ' HG13 ' A' ' 88' ' ' ILE . 31.3 ttt-85 -66.83 -51.64 53.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.779 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.616 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -61.23 -35.83 78.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.993 -177.403 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.47 -37.4 74.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.361 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.55 96.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.279 176.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.683 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 77.6 mt -61.4 -51.42 73.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.143 176.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.29 80.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.917 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.425 ' O ' HG23 ' A' ' 94' ' ' VAL . 11.6 ttp180 -71.0 -35.0 71.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.406 -178.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.2 pp -70.91 -35.76 72.41 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.861 178.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.596 HG12 ' HE2' ' A' ' 96' ' ' LYS . 49.1 t -66.89 -36.62 77.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.539 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . . . -60.15 -41.72 93.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.373 174.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.491 HG21 HD22 ' A' ' 63' ' ' LEU . 75.8 t -63.28 -39.82 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.457 175.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 91' ' ' LEU . 80.3 mt -59.57 -41.04 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.664 176.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.596 ' HE2' HG12 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -59.75 -36.95 77.66 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 120.521 0.201 . . . . 0.0 110.814 175.33 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -66.32 -48.16 71.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.357 0.599 . . . . 0.0 110.781 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.963 ' HG ' ' HA ' ' A' ' 59' ' ' ALA . 6.4 mp -70.31 -33.6 71.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.359 -174.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.4 p -93.76 -5.41 48.39 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.851 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 96' ' ' LYS . . . -66.08 159.92 25.01 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.843 0.354 . . . . 0.0 111.34 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -72.87 110.79 7.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.177 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 66.7 153.33 0.08 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.883 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.588 ' HE3' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -164.41 -61.37 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.335 -178.262 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.8 t -134.7 158.12 44.91 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -83.93 -27.32 28.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.421 -174.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -134.1 109.12 8.72 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.666 -175.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.65 131.86 8.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.752 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 30.8 m -150.3 129.09 12.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.782 0.325 . . . . 0.0 111.228 -177.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -159.18 87.93 2.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.215 0.531 . . . . 0.0 110.788 177.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -96.14 167.39 1.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.326 2.684 . . . . 0.0 112.161 173.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 13.0 t 179.68 159.44 0.74 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.627 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -170.43 148.22 3.12 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -177.59 167.78 2.2 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t 72.0 72.48 0.16 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.87 169.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -136.01 112.33 9.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.039 171.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -169.93 117.3 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.353 0.408 . . . . 0.0 110.999 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.594 ' O ' ' HD2' ' A' ' 118' ' ' ARG . 13.0 ptm180 -179.58 86.39 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.99 0.424 . . . . 0.0 111.539 175.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.594 ' HD2' ' O ' ' A' ' 117' ' ' ARG . 0.3 OUTLIER -143.26 136.23 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.149 -0.344 . . . . 0.0 110.777 174.628 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 63.4 mt -157.19 94.6 1.42 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.053 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 49.4 m -139.5 116.71 11.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.841 0.353 . . . . 0.0 111.673 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.0 m -150.33 145.8 26.36 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 175.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -179.15 -169.02 0.14 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.133 0.271 . . . . 0.0 111.234 -173.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 75.41 119.73 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 170.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -145.75 124.39 12.53 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.12 174.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -100.17 160.63 14.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.2 p -175.3 111.74 0.12 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.772 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 42.8 t -170.91 119.29 0.51 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.75 0.309 . . . . 0.0 111.07 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 16.2 m -143.91 142.24 24.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.021 174.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -179.08 99.99 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 111.411 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -147.88 134.78 20.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.593 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' A' ' 132' ' ' ARG . 2.5 pt? -169.39 126.97 0.94 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.617 0.246 . . . . 0.0 111.414 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 39.2 ttp180 174.71 105.7 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.526 171.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -115.92 99.7 0.9 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.96 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -110.91 140.93 44.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.18 0.514 . . . . 0.0 111.698 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.4 p -142.71 140.1 28.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.328 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -120.87 144.78 48.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.191 0.519 . . . . 0.0 111.794 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -125.55 100.03 32.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.106 176.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -86.21 38.13 0.58 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 123.007 2.472 . . . . 0.0 112.006 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 96.5 mt -86.42 120.17 27.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.443 -170.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -164.65 104.8 0.82 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.875 171.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -123.99 116.91 23.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.025 -170.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.17 150.86 19.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.103 0.478 . . . . 0.0 111.135 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -123.36 112.42 17.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.348 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -122.2 163.9 18.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.934 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 11.7 t60 61.29 70.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.987 0.804 . . . . 0.0 111.433 174.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -63.97 129.47 40.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 172.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -141.92 -179.18 6.06 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.516 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 32.8 t60 . . . . . 0 C--O 1.244 0.784 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.04 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.451 ' SD ' ' HA ' ' A' ' 11' ' ' ALA . 14.0 tpt . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.551 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 3.6 mp -102.89 116.24 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.81 0.338 . . . . 0.0 110.182 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.95 125.03 53.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.694 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.465 ' HB ' HG13 ' A' ' 8' ' ' VAL . 30.7 mm -109.9 165.69 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.563 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 29.5 t -56.64 154.16 9.28 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 5' ' ' SER . 13.5 mmt85 75.17 -164.01 0.07 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.752 0.658 . . . . 0.0 109.559 -169.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 t -102.2 35.91 2.27 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.6 0.714 . . . . 0.0 110.447 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.514 HG11 ' HD3' ' A' ' 49' ' ' PRO . 7.7 p -109.09 123.12 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.258 0.552 . . . . 0.0 110.899 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -127.58 152.7 47.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.551 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 mp -117.57 133.15 65.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 177.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.543 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -63.76 150.67 44.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.915 0.388 . . . . 0.0 111.01 -178.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.59 -35.18 79.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.738 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -108.51 33.46 4.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.541 0.686 . . . . 0.0 109.881 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.543 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 2.3 mt-10 -92.56 -35.27 13.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.997 172.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.505 HD13 HD12 ' A' ' 39' ' ' LEU . 97.9 mt -73.15 136.47 44.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.919 -178.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -80.36 98.68 7.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.304 0.574 . . . . 0.0 110.111 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.38 137.22 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.849 -177.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.11 149.34 48.65 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.575 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.92 140.65 29.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.725 0.297 . . . . 0.0 110.258 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.571 ' CG1' ' HB2' ' A' ' 38' ' ' HIS . 64.1 mt -89.52 116.19 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.279 0.561 . . . . 0.0 110.48 178.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.9 ttp85 -129.27 92.23 3.33 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.949 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.51 95.39 10.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.64 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -82.27 81.28 8.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.234 0.54 . . . . 0.0 110.486 -175.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.77 106.48 0.31 Allowed Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.631 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.33 -66.47 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -85.96 33.14 3.6 Favored Glycine 0 N--CA 1.454 -0.132 0 C-N-CA 120.967 -0.635 . . . . 0.0 113.496 -173.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.49 -25.68 11.85 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.13 178.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.475 ' NE2' ' HB ' ' A' ' 30' ' ' VAL . 53.4 tt0 -172.38 160.47 4.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.965 0.412 . . . . 0.0 110.063 -177.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -86.91 5.81 35.14 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.619 0.723 . . . . 0.0 110.63 -176.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.475 ' HB ' ' NE2' ' A' ' 28' ' ' GLN . 14.9 p -64.2 -31.46 53.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.928 -177.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.417 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 28.8 t30 68.58 96.95 0.06 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.317 -175.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -87.64 114.32 24.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.761 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.7 p -80.22 134.68 36.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.502 -177.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.7 m -107.96 31.43 5.52 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.376 0.608 . . . . 0.0 110.209 176.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.562 ' HB2' ' HA ' ' A' ' 78' ' ' ARG . 7.4 p -113.91 38.57 2.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.589 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.518 ' CB ' ' HB3' ' A' ' 75' ' ' GLN . . . -115.86 155.38 28.01 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.759 -175.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -102.09 136.67 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.9 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.571 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 57.1 t-80 -127.2 134.26 50.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.138 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.524 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.7 pt? -136.44 149.61 48.33 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 177.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.5 mtp-105 -106.64 110.2 22.32 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.266 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -97.09 102.01 13.69 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 174.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 45' ' ' ALA . 13.4 t70 -102.08 135.31 43.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.689 -173.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.0 mp -77.19 -43.56 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.543 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -66.66 -39.06 88.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.83 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 42' ' ' ASP . . . -73.0 -8.75 57.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.354 -177.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.2 p -112.69 -172.24 2.01 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 120.803 0.335 . . . . 0.0 110.611 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.41 57.83 0.7 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.083 -0.58 . . . . 0.0 111.718 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.9 mt -75.68 155.0 85.41 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.514 ' HD3' HG11 ' A' ' 8' ' ' VAL . 31.8 Cg_exo -58.45 149.04 77.3 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.271 1.98 . . . . 0.0 111.63 175.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.64 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 45.1 mt-10 -50.25 -54.49 20.82 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.566 -173.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -67.62 -34.2 76.5 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -174.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.445 ' HD1' ' HB2' ' A' ' 49' ' ' PRO . 52.6 m-85 -67.82 -43.29 79.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.858 -0.156 . . . . 0.0 111.276 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 50' ' ' GLU . 59.7 pttt -69.53 -33.88 73.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.685 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 15.7 mm100 -71.38 -34.93 70.86 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -59.97 -28.86 68.02 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.814 0.34 . . . . 0.0 111.207 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.7 mt -75.6 -35.03 60.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.367 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.408 HD11 ' HA2' ' A' ' 68' ' ' GLY . 4.0 mm? -91.21 -15.06 29.88 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -176.593 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.4 p -88.51 -34.41 17.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.207 0.527 . . . . 0.0 110.829 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.16 123.87 26.53 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.151 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.0 m -79.07 69.68 5.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.391 0.615 . . . . 0.0 109.839 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -94.1 133.37 37.65 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -75.72 -8.26 56.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.036 0.445 . . . . 0.0 111.336 -167.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.6 mp -75.21 -15.66 60.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.189 173.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.6 mm -77.06 137.41 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 174.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.421 ' OG ' HG13 ' A' ' 69' ' ' VAL . 13.8 p -97.16 -84.75 0.37 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.711 -174.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -133.65 -76.92 0.48 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.823 0.344 . . . . 0.0 111.906 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -104.77 64.65 0.74 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.125 0.488 . . . . 0.0 112.129 -170.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.408 ' HA2' HD11 ' A' ' 57' ' ' LEU . . . 71.69 38.11 61.3 Favored Glycine 0 C--N 1.32 -0.325 0 CA-C-N 115.374 -0.83 . . . . 0.0 114.253 169.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.421 HG13 ' OG ' ' A' ' 65' ' ' SER . 7.8 p -134.93 142.52 40.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.071 0.462 . . . . 0.0 109.862 174.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.0 mt -102.0 133.87 44.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.227 -176.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.2 mm -106.8 122.93 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-O 121.155 0.502 . . . . 0.0 110.957 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.524 ' HB ' HD21 ' A' ' 39' ' ' LEU . 5.2 mp -120.98 132.68 69.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.886 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' HG2' ' CD1' ' A' ' 20' ' ' ILE . 83.3 mttt -119.1 108.83 15.19 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.801 0.81 . . . . 0.0 110.041 173.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.9 124.65 52.7 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.37 -1.286 . . . . 0.0 111.196 -175.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.518 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 13.1 pt20 -156.59 107.9 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.447 0.641 . . . . 0.0 111.439 178.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -74.34 -62.56 1.48 Allowed 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 167.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -147.72 -58.16 0.25 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.645 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.562 ' HA ' ' HB2' ' A' ' 35' ' ' SER . 66.0 ttt180 -157.42 -42.87 0.07 Allowed 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -177.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.9 m -51.09 113.58 0.96 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.314 0.578 . . . . 0.0 112.066 -174.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.422 ' CD ' ' H ' ' A' ' 80' ' ' GLN . 19.8 mp0 -67.8 -42.52 81.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.252 -171.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -59.34 -53.48 57.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.277 -174.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.3 pp -68.73 -35.02 76.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.839 0.352 . . . . 0.0 110.36 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -65.66 -39.03 90.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.549 177.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -65.7 -47.46 75.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.09 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -61.98 -38.16 87.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.444 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.46 -32.14 73.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.467 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.444 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -68.98 -38.5 79.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.484 176.34 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.585 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 76.2 mt -60.72 -50.47 80.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.877 175.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.11 -34.61 76.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.571 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 94' ' ' VAL . 22.8 tpt180 -60.85 -49.18 78.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.974 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.2 pp -64.8 -38.82 92.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.564 -177.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.518 HG12 ' HE3' ' A' ' 96' ' ' LYS . 69.0 t -63.0 -41.06 91.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.068 0.461 . . . . 0.0 110.143 177.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.526 ' HA ' ' HG2' ' A' ' 96' ' ' LYS . . . -65.89 -44.96 83.75 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.61 177.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 90' ' ' ARG . 78.3 t -55.34 -43.45 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.397 . . . . 0.0 110.345 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 91' ' ' LEU . 94.8 mt -59.24 -46.3 92.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.526 ' HG2' ' HA ' ' A' ' 93' ' ' ALA . 15.3 ptpt -75.39 -30.18 60.06 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.293 -0.254 . . . . 0.0 111.681 -177.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.48 -31.74 73.08 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.097 0.475 . . . . 0.0 110.98 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 94' ' ' VAL . 11.0 mp -91.47 -38.01 12.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.229 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.4 p -74.52 -37.44 63.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.427 . . . . 0.0 111.195 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -101.42 164.14 11.92 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -89.4 75.18 7.69 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 121.088 0.471 . . . . 0.0 110.36 178.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -129.73 172.83 11.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.241 -176.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -160.64 106.35 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.322 174.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.2 p -126.46 136.47 52.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -175.08 139.36 0.47 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -152.22 122.59 7.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.827 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -132.51 105.73 7.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.067 0.46 . . . . 0.0 111.067 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 38.7 m -151.82 110.14 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.089 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -134.51 104.83 11.0 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-O 121.033 0.444 . . . . 0.0 111.158 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -88.32 130.02 2.37 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 122.964 2.443 . . . . 0.0 112.265 177.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 32.1 m -150.66 118.06 6.05 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -155.94 137.86 14.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.754 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -153.63 160.2 42.33 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.734 0.302 . . . . 0.0 111.255 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.1 m -145.8 -79.41 0.17 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.923 175.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 50.56 91.88 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.824 0.85 . . . . 0.0 113.103 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.22 162.7 39.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.52 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -169.04 137.44 2.0 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.27 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 0.0 OUTLIER -156.93 117.42 3.59 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.184 0.516 . . . . 0.0 110.452 169.428 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 48.7 tp -166.8 136.93 3.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.845 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.4 p -164.25 112.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.966 177.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.4 p -146.57 138.25 24.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.303 -177.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -162.89 122.8 2.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.125 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -171.45 109.47 0.29 Allowed 'General case' 0 C--O 1.233 0.187 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.459 ' O ' ' HD2' ' A' ' 125' ' ' LYS . 45.4 mt-30 -141.51 88.07 2.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.913 172.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.459 ' HD2' ' O ' ' A' ' 124' ' ' GLN . 4.6 tptp -138.65 115.61 10.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.673 0.273 . . . . 0.0 110.739 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.4 m -156.67 125.25 5.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.851 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.6 t -161.94 97.34 1.04 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.233 0.539 . . . . 0.0 110.759 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.23 143.92 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.939 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -163.94 103.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 0.0 111.115 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -155.61 121.79 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.198 176.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.459 ' O ' HD22 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -159.2 133.15 7.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.021 0.438 . . . . 0.0 110.635 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -173.43 158.36 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.48 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 152.32 146.67 4.4 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.664 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -135.63 102.82 5.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.9 m -125.96 122.93 63.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.852 0.358 . . . . 0.0 111.406 -176.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.438 ' HA ' ' HE ' ' A' ' 136' ' ' ARG . 3.2 tpm_? -177.6 118.71 0.1 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.162 177.119 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -147.32 83.67 7.64 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -96.39 148.41 1.15 Allowed 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.286 2.658 . . . . 0.0 113.757 -177.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 61.9 mt -148.08 135.21 20.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.69 172.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -158.96 100.09 1.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.143 0.496 . . . . 0.0 111.119 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 56.4 tp -139.35 108.24 5.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.639 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.19 124.95 16.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.054 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -147.45 108.3 4.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -121.72 154.61 36.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.897 0.379 . . . . 0.0 110.799 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -119.25 154.58 33.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.767 -174.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -132.32 96.48 3.88 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.846 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -130.21 140.85 50.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.988 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 24.6 t60 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.441 -0.79 . . . . 0.0 109.592 173.033 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ttt . . . . . 0 N--CA 1.483 1.221 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp -106.55 134.1 49.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 0.0 110.835 -177.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.97 116.78 30.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.11 0.481 . . . . 0.0 110.64 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 5' ' ' SER . 30.8 mm -100.13 163.48 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.738 -179.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 7.1 t -62.63 162.47 10.53 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.511 ' NE ' ' HA ' ' A' ' 6' ' ' ARG . 1.6 mmp_? 69.86 28.17 4.35 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 122.472 0.309 . . . . 0.0 110.787 -175.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 t 48.96 31.46 3.28 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.356 1.063 . . . . 0.0 112.444 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -96.22 114.37 32.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.003 176.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -94.13 144.06 25.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.855 0.359 . . . . 0.0 110.332 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.412 HG22 ' HG3' ' A' ' 14' ' ' GLU . 52.0 mt -123.11 152.51 27.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.415 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -62.0 175.23 0.72 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.161 0.505 . . . . 0.0 111.835 -176.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -82.18 -55.35 4.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.534 -168.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -85.2 29.48 0.65 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.391 0.615 . . . . 0.0 110.436 -175.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 6.6 mm-40 -84.08 -24.5 30.33 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 121.11 0.481 . . . . 0.0 110.029 175.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.7 mt -73.9 122.9 23.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.051 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -87.04 101.68 13.69 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.533 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.9 mm -87.8 125.07 41.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.976 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p -121.89 138.56 54.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.532 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.56 132.31 40.83 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 176.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.528 HD11 ' HB2' ' A' ' 38' ' ' HIS . 26.6 mt -89.43 139.67 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.475 ' HA ' ' HA ' ' A' ' 34' ' ' SER . 36.6 ttm180 -157.29 12.01 0.22 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.964 0.411 . . . . 0.0 110.499 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -148.11 162.74 38.8 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.763 -174.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 71.93 103.8 0.07 Allowed 'General case' 0 N--CA 1.467 0.408 0 O-C-N 124.202 0.939 . . . . 0.0 111.32 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.15 50.65 0.88 Allowed Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.99 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.51 168.64 19.26 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.43 72.07 0.51 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.389 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.53 1.25 40.41 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.376 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 66.72 171.47 0.25 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.913 0.485 . . . . 0.0 111.727 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.5 t60 64.29 16.01 9.82 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.434 172.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.1 p -115.73 154.13 17.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.133 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -105.15 -177.48 3.38 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -76.55 2.98 12.37 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.458 HG23 ' OE1' ' A' ' 75' ' ' GLN . 8.1 m 56.64 41.57 28.23 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.63 0.729 . . . . 0.0 110.789 177.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.475 ' HA ' ' HA ' ' A' ' 21' ' ' ARG . 4.5 p -67.14 120.53 13.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.293 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m 69.66 78.42 0.2 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.302 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 75' ' ' GLN . . . -145.96 165.12 29.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.534 178.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.506 HG21 ' HA ' ' A' ' 84' ' ' ARG . 29.5 mm -100.04 127.46 52.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.222 0.534 . . . . 0.0 110.923 -176.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.528 ' HB2' HD11 ' A' ' 20' ' ' ILE . 57.5 t-80 -136.76 131.55 33.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.212 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.467 HD11 ' CD2' ' A' ' 91' ' ' LEU . 2.3 pt? -145.45 150.83 37.22 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.972 -0.455 . . . . 0.0 110.541 176.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -127.65 149.14 50.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.539 -179.687 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -125.48 113.84 18.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.858 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -101.18 151.66 21.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.797 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.429 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.1 mp -70.95 -44.53 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.443 -176.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -76.53 0.74 18.84 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.094 0.474 . . . . 0.0 110.735 -176.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.72 -4.61 56.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.904 0.383 . . . . 0.0 110.268 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 t -155.74 -165.16 1.89 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.79 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -126.15 83.57 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.031 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.9 mt -76.16 154.26 84.45 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 120.541 0.21 . . . . 0.0 111.102 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.68 148.75 87.28 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.853 2.369 . . . . 0.0 111.807 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -56.8 -45.54 82.15 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -174.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -59.25 -43.5 92.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.978 0.418 . . . . 0.0 111.115 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.414 ' HE1' ' HB2' ' A' ' 98' ' ' LEU . 63.1 t80 -74.97 -46.61 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.718 -177.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 53' ' ' LYS . 36.2 ttpt -51.96 -50.46 61.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.128 -177.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -65.68 -41.53 92.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.575 -175.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -66.94 -23.59 65.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.902 -176.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.468 HD23 ' HG ' ' A' ' 98' ' ' LEU . 91.0 mt -63.65 -32.14 73.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.324 . . . . 0.0 110.976 176.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -86.4 -31.65 21.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.045 0.45 . . . . 0.0 110.365 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.8 m -71.63 -43.07 66.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.301 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.73 105.78 17.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.863 0.363 . . . . 0.0 110.412 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.1 t -78.99 67.54 4.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.548 0.69 . . . . 0.0 109.205 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -60.78 137.77 58.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -57.67 -31.65 66.55 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -167.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.579 HD12 HG21 ' A' ' 94' ' ' VAL . 49.8 mt -76.99 -6.97 54.72 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.476 ' CD1' HG12 ' A' ' 70' ' ' ILE . 36.7 mm -81.48 131.41 33.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 168.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.542 ' HB2' HD13 ' A' ' 71' ' ' ILE . 13.6 t -75.43 -71.62 0.35 Allowed 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.671 -0.812 . . . . 0.0 109.995 -174.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -165.26 -42.38 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.993 0.425 . . . . 0.0 110.692 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.64 -3.19 17.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.072 -176.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.83 3.5 45.93 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.365 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 p -102.15 143.99 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -175.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.476 HG12 ' CD1' ' A' ' 64' ' ' ILE . 4.3 mt -88.92 126.28 41.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.242 -177.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.542 HD13 ' HB2' ' A' ' 65' ' ' SER . 1.8 mp -114.42 119.5 61.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.769 0.319 . . . . 0.0 110.706 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 72' ' ' ILE . 4.5 mp -123.68 126.1 72.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.965 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.61 143.81 49.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 175.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.45 135.43 31.99 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.526 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.491 ' O ' ' HD2' ' A' ' 110' ' ' PRO . 19.4 pt20 -157.71 104.08 1.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.131 0.491 . . . . 0.0 110.825 -176.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -111.26 -53.55 2.69 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.157 0.503 . . . . 0.0 110.356 171.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -142.38 -171.84 3.48 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.79 11.88 5.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.852 0.358 . . . . 0.0 111.056 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.2 m -88.68 97.39 11.1 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.416 ' HA ' ' HB2' ' A' ' 83' ' ' ASN . 2.5 mp0 -70.48 -20.19 62.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.136 -174.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -57.73 -53.23 60.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.865 0.364 . . . . 0.0 110.512 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.865 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 4.1 pp -76.74 -32.34 57.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.172 0.51 . . . . 0.0 110.965 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.416 ' HB2' ' HA ' ' A' ' 80' ' ' GLN . 91.9 m-20 -61.33 -45.16 95.57 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.05 175.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.506 ' HA ' HG21 ' A' ' 37' ' ' ILE . 36.8 ttm180 -68.17 -48.4 65.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.693 -178.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.865 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 1.9 pt-20 -57.85 -38.91 76.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 -177.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.575 ' N ' ' HG3' ' A' ' 85' ' ' GLU . . . -67.47 -45.26 76.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.543 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.66 91.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.633 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 79.0 mt -63.95 -51.84 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.934 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.87 -39.69 78.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.802 0.334 . . . . 0.0 111.254 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.541 ' O ' HG23 ' A' ' 94' ' ' VAL . 7.6 mpt_? -63.37 -47.5 81.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.374 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.5 pp -66.38 -38.96 88.73 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.777 -176.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.534 HG12 ' HE2' ' A' ' 96' ' ' LYS . 88.7 t -61.86 -40.2 86.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.27 178.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.84 -46.71 88.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 175.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.579 HG21 HD12 ' A' ' 63' ' ' LEU . 71.8 t -60.79 -43.03 94.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.055 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 91' ' ' LEU . 65.6 mt -55.66 -34.3 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.547 176.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.534 ' HE2' HG12 ' A' ' 92' ' ' VAL . 52.6 mtmt -81.31 -28.29 34.66 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.73 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.2 -26.36 66.31 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.468 ' HG ' HD23 ' A' ' 56' ' ' LEU . 4.5 mm? -73.33 -17.07 61.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.808 0.337 . . . . 0.0 111.449 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.5 p -115.0 -52.6 2.69 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.042 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.08 124.4 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 171.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -53.25 141.36 23.98 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -170.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -45.61 121.51 3.11 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 114.184 -1.371 . . . . 0.0 112.643 -173.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -105.17 -76.84 0.59 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.768 177.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.2 t -160.5 120.33 2.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.135 0.493 . . . . 0.0 111.158 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.543 ' HD3' HD11 ' A' ' 63' ' ' LEU . 8.0 tmm_? -117.45 108.85 16.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 175.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -114.92 136.93 52.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 -170.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -155.02 153.15 30.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.84 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.1 p -126.93 -176.58 3.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.956 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -171.03 83.23 0.51 Allowed Pre-proline 0 CA--C 1.533 0.307 0 CA-C-O 120.623 0.249 . . . . 0.0 111.243 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.491 ' HD2' ' O ' ' A' ' 75' ' ' GLN . 30.7 Cg_endo -66.17 131.93 28.29 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.326 2.017 . . . . 0.0 111.762 174.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.4 m -105.17 95.53 5.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.029 -176.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -145.91 160.39 41.89 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.321 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 74.73 143.07 0.07 Allowed 'General case' 0 N--CA 1.471 0.588 0 O-C-N 124.121 0.888 . . . . 0.0 112.662 176.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.5 t -162.22 160.72 27.32 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.672 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -165.56 124.58 1.68 Allowed 'General case' 0 C--O 1.234 0.259 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -174.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -149.93 140.64 22.64 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.696 0.623 . . . . 0.0 110.498 173.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -150.21 144.61 25.74 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -141.25 146.33 36.69 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.7 tp -161.99 130.32 4.18 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.452 0.167 . . . . 0.0 110.826 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.6 t -167.33 124.1 1.17 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.471 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 43.6 p -176.74 107.84 0.07 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.271 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 122' ' ' LYS . 1.8 tmtp? -170.6 122.91 0.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 174.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -154.54 131.33 10.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.441 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -154.71 144.39 21.52 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -151.24 133.69 15.47 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.618 0.247 . . . . 0.0 110.893 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.3 m -153.96 131.23 11.18 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 122.377 0.271 . . . . 0.0 110.605 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 34.3 p -162.01 135.63 6.39 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.099 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.0 m -137.59 114.62 12.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.049 0.452 . . . . 0.0 111.114 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.868 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -122.24 132.94 54.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.319 178.387 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -150.03 148.38 28.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.059 175.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.9 tp -154.77 162.59 41.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.54 0.209 . . . . 0.0 110.555 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -155.78 -179.95 8.62 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -155.17 174.35 33.35 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.129 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -165.21 139.03 4.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 13.1 p -172.9 153.66 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -154.48 156.81 37.39 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -167.38 87.71 0.76 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.938 0.399 . . . . 0.0 110.571 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -96.18 128.07 0.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.515 2.81 . . . . 0.0 112.675 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 51.4 tp -146.93 131.74 18.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.032 0.444 . . . . 0.0 111.072 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -126.25 159.73 32.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 173.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.36 133.94 41.18 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -79.87 177.81 8.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.123 0.487 . . . . 0.0 111.563 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -148.08 139.83 23.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.085 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -135.11 87.24 2.32 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 174.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -99.11 97.92 8.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.948 -176.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -85.69 128.42 34.78 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.096 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -59.99 120.11 9.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.845 172.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.255 -177.867 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.573 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 3.5 mp -82.49 125.07 39.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.113 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.56 115.68 29.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.721 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.689 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 26.7 mm -99.58 164.79 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.436 ' N ' HG22 ' A' ' 4' ' ' ILE . 7.5 t -74.32 -177.24 2.95 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.538 ' HG2' HG22 ' A' ' 7' ' ' THR . 22.8 ttt180 67.65 -77.27 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.19 0.596 . . . . 0.0 110.92 -178.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.538 HG22 ' HG2' ' A' ' 6' ' ' ARG . 15.0 t -174.19 19.68 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.034 0.445 . . . . 0.0 111.057 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.689 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 18.4 t -99.57 144.99 11.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 122.198 -0.314 . . . . 0.0 110.828 -173.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.409 ' C ' HD12 ' A' ' 10' ' ' ILE . 17.7 m -148.25 149.65 32.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.043 0.449 . . . . 0.0 110.349 176.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.573 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.1 mp -124.48 127.92 73.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.743 -178.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.554 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -68.87 155.56 40.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.993 0.425 . . . . 0.0 110.947 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.46 -29.86 71.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.193 -174.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -86.78 -6.8 58.71 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.72 -174.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.554 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 12.7 mm-40 -75.14 -41.75 57.68 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 120.975 0.417 . . . . 0.0 110.727 -177.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.8 mt -85.33 143.67 28.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.757 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.534 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 45.7 mt-10 -83.0 112.18 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.241 178.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.7 mm -96.95 112.31 28.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 172.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.09 144.67 48.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.296 0.57 . . . . 0.0 112.1 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.5 127.69 33.56 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.604 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.9 mp -67.44 113.17 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.825 0.345 . . . . 0.0 110.157 -176.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 21' ' ' ARG . 4.2 tpt180 -82.57 91.15 6.88 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 176.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.9 44.43 1.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.377 -174.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.414 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 6.6 tp60 -61.47 104.84 0.45 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.414 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -168.9 51.84 0.22 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.816 ' HB1' ' HA ' ' A' ' 31' ' ' ASN . . . -94.86 -40.25 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.968 0.413 . . . . 0.0 110.054 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.8 -64.58 1.02 Allowed Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.41 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 163.49 -162.81 35.23 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.033 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 61.98 -163.22 0.27 Allowed 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 120.951 0.405 . . . . 0.0 110.826 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -84.15 5.0 27.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.56 0.695 . . . . 0.0 110.219 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.1 t -89.11 5.69 4.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.775 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.816 ' HA ' ' HB1' ' A' ' 25' ' ' ALA . 81.6 m-20 -61.14 133.43 55.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.373 0.606 . . . . 0.0 111.469 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.72 163.73 34.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.328 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 t -144.17 -169.92 3.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.719 0.295 . . . . 0.0 110.287 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -90.66 150.22 21.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.522 0.677 . . . . 0.0 112.357 -173.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.8 m -146.54 76.62 1.44 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 169.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.67 ' HB2' ' HB3' ' A' ' 75' ' ' GLN . . . -156.23 164.43 38.36 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.41 -169.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.5 mm -113.0 121.81 65.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.522 177.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -112.74 127.13 56.06 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.603 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.5 pt? -136.78 149.2 47.66 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.877 0.37 . . . . 0.0 111.136 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -102.71 114.45 28.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.088 174.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.551 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 49.3 t80 -96.94 100.84 12.35 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 170.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -106.47 118.64 37.17 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.076 -170.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.4 mt -70.2 -44.17 78.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.951 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -59.39 -38.7 81.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.172 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.24 -15.89 58.35 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -177.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 p -107.93 176.35 5.17 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.286 0.565 . . . . 0.0 110.934 -177.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.52 56.83 0.5 Allowed Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.654 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.23 148.54 91.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.929 -0.136 . . . . 0.0 110.859 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.61 145.39 97.7 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.674 2.25 . . . . 0.0 111.376 176.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.86 -33.16 73.69 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -174.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -62.35 -33.67 75.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 111.205 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -79.0 -42.76 25.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.151 0.5 . . . . 0.0 109.927 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.95 -46.37 89.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.446 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 54' ' ' GLN . 18.0 mm-40 -61.6 -43.16 99.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.673 -177.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -60.22 -39.19 85.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.613 0.244 . . . . 0.0 111.424 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.519 HD23 ' HG ' ' A' ' 98' ' ' LEU . 95.3 mt -71.63 -28.63 63.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.482 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.4 mt -90.06 -26.64 20.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.744 -177.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.0 p -80.19 -48.53 12.99 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.231 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.16 111.6 15.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.627 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 m -77.22 76.76 3.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.27 0.557 . . . . 0.0 110.828 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.6 134.99 33.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.197 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -61.42 -12.46 14.59 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -175.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.38 -21.88 62.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.818 0.342 . . . . 0.0 110.451 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.607 HD13 HG12 ' A' ' 70' ' ' ILE . 36.1 mm -79.64 134.39 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 174.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.448 ' OG ' HD13 ' A' ' 71' ' ' ILE . 22.5 m -78.24 -79.26 0.13 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.21 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -153.43 -54.28 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.671 0.272 . . . . 0.0 111.508 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -79.6 -15.76 57.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.185 0.516 . . . . 0.0 111.32 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 120.42 16.92 4.53 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.124 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.96 144.22 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.607 HG12 HD13 ' A' ' 64' ' ' ILE . 42.0 mt -103.7 122.41 56.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.448 HD13 ' OG ' ' A' ' 65' ' ' SER . 1.7 mp -108.34 120.82 60.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.29 0.567 . . . . 0.0 110.46 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.603 ' HB ' HD21 ' A' ' 39' ' ' LEU . 4.9 mp -113.55 131.48 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.806 178.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -119.33 99.87 6.96 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.9 125.92 50.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.791 -175.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.67 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 10.2 pt20 -154.76 104.44 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.811 -178.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -117.62 -38.66 3.25 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.206 175.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.455 ' HB3' HD21 ' A' ' 82' ' ' LEU . 13.0 t80 -147.24 176.21 10.16 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -176.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -66.93 -21.46 65.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 111.039 176.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.427 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 14.1 m -73.02 104.94 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.47 -20.17 66.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.191 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -59.91 -53.5 57.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.087 0.47 . . . . 0.0 110.903 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' A' ' 77' ' ' PHE . 4.2 pp -72.33 -34.63 68.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.432 -178.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -61.92 -39.52 92.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.293 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.2 tpp180 -61.37 -51.55 68.34 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.752 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -57.14 -46.09 83.0 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.42 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 90' ' ' ARG . . . -60.85 -42.0 96.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.482 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.4 83.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.842 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.65 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 74.9 mt -66.86 -49.12 77.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.727 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.79 73.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.83 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -65.04 -44.16 89.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.16 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.3 pp -69.51 -34.85 74.88 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -178.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.524 ' HA ' HD12 ' A' ' 95' ' ' ILE . 66.6 t -65.6 -39.06 83.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.084 176.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -63.22 -38.37 90.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 175.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 90' ' ' ARG . 89.4 t -60.65 -41.74 89.25 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.079 175.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 92' ' ' VAL . 84.5 mt -55.15 -46.74 77.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.026 176.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -64.32 -43.81 93.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.941 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.578 ' HG2' ' HA ' ' A' ' 94' ' ' VAL . 9.0 pt-20 -74.46 -27.64 60.68 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.876 -176.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.519 ' HG ' HD23 ' A' ' 56' ' ' LEU . 4.0 mm? -82.81 -30.42 28.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.5 p -92.69 4.98 52.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.101 0.477 . . . . 0.0 110.817 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.11 119.36 20.71 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.409 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -77.71 84.27 4.05 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 77.5 mt-30 -137.62 171.16 14.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.697 -175.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 1.001 ' HA ' ' HB1' ' A' ' 113' ' ' ALA . 91.8 mttt -76.99 22.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.8 m -85.76 98.4 10.7 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.418 ' HG2' HG23 ' A' ' 111' ' ' THR . 26.9 mtp-105 -120.12 -87.11 0.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.327 -176.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.411 ' H ' ' HB2' ' A' ' 105' ' ' ARG . 34.7 ttm180 63.64 179.5 0.16 Allowed 'General case' 0 CA--C 1.541 0.618 0 O-C-N 123.701 0.625 . . . . 0.0 109.64 -174.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 69.48 -160.5 0.17 Allowed 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.442 0.297 . . . . 0.0 110.798 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.3 m -116.21 5.59 13.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.281 0.563 . . . . 0.0 111.357 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.503 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 98.6 mtt180 -109.47 126.28 29.52 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -174.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' A' ' 109' ' ' ARG . 3.3 Cg_exo -74.56 98.44 1.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.436 2.757 . . . . 0.0 113.392 -174.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.418 HG23 ' HG2' ' A' ' 105' ' ' ARG . 3.8 t -94.19 154.64 17.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.515 -0.766 . . . . 0.0 108.995 170.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 49.8 mtt180 -69.18 132.29 46.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.686 0.279 . . . . 0.0 110.668 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 1.001 ' HB1' ' HA ' ' A' ' 103' ' ' LYS . . . -146.16 89.6 1.89 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.987 -174.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.01 -47.78 2.86 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.376 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 37.8 mtmm -90.99 155.34 18.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.037 0.446 . . . . 0.0 111.792 -175.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -164.68 104.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.382 175.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -86.64 91.62 8.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 173.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 118' ' ' ARG . 20.8 ttm-85 -107.8 121.38 44.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.237 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -163.52 156.51 18.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.805 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.3 m -151.0 117.59 5.75 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 173.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 122' ' ' LYS . 41.8 t -127.63 80.05 1.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.711 -173.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 121' ' ' SER . 17.3 tptp 176.41 89.05 0.01 OUTLIER 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.898 170.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -129.4 130.58 46.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.936 177.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -145.47 88.09 1.83 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.438 0.637 . . . . 0.0 110.443 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -95.71 132.15 41.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.463 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.4 m -150.53 100.06 2.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.565 176.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.6 t -147.08 99.93 3.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.652 0.263 . . . . 0.0 110.837 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.2 88.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.069 0.461 . . . . 0.0 111.269 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -164.67 120.95 1.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -149.21 158.97 44.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.489 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.5 pp -158.41 128.57 6.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.168 0.509 . . . . 0.0 110.881 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -137.48 132.64 33.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.317 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 161.77 107.28 0.22 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 119.689 -1.243 . . . . 0.0 113.836 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -142.78 132.83 24.38 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 173.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.1 m -102.41 163.58 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.073 0.463 . . . . 0.0 111.843 -173.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.481 ' NE ' ' HA ' ' A' ' 136' ' ' ARG . 3.5 mmp_? -120.53 130.67 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.936 177.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -116.1 97.88 50.26 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -86.16 137.86 5.47 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 123.436 2.757 . . . . 0.0 112.474 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.8 mp -112.23 153.14 27.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.125 0.488 . . . . 0.0 110.762 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -116.49 130.89 57.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.26 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 5.7 tt -157.92 114.69 2.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.999 0.428 . . . . 0.0 110.949 -176.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -156.04 112.78 3.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.729 169.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -89.99 84.27 6.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -81.51 107.6 14.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.17 -175.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -112.22 140.71 46.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.977 0.418 . . . . 0.0 111.071 -175.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -110.9 -168.5 1.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.781 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -140.09 106.78 5.35 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 175.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.961 177.278 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.0 ttp . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.604 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 34.6 mm -76.04 111.67 12.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.899 0.38 . . . . 0.0 110.3 -177.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.2 114.87 27.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.628 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.3 mm -99.52 160.98 3.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 8.4 t -64.03 147.79 51.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 5' ' ' SER . 0.1 OUTLIER 67.06 -167.08 0.21 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.455 -173.83 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 t -81.37 47.52 1.05 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.474 0.654 . . . . 0.0 111.514 -175.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.1 t -122.02 135.68 61.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.1 m -152.46 158.57 42.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.539 0.209 . . . . 0.0 110.687 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.604 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 40.3 mt -121.08 125.97 74.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.105 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.536 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -72.37 162.27 29.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.118 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -62.28 -44.13 97.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.299 -175.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -72.98 -15.99 61.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.536 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 14.0 mm-40 -80.16 -12.86 59.61 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 121.165 0.507 . . . . 0.0 110.768 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.518 HD21 HG13 ' A' ' 2' ' ' ILE . 96.8 mt -84.5 129.3 34.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.642 179.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -85.32 94.99 9.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.009 0.433 . . . . 0.0 109.914 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.8 mm -95.15 123.92 47.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.932 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.88 147.72 46.63 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.8 137.99 31.88 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.655 ' O ' ' HA ' ' A' ' 34' ' ' SER . 50.6 mt -81.69 108.99 15.37 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 CA-C-O 120.996 0.427 . . . . 0.0 110.259 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -104.8 112.18 25.19 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.525 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB3' ' OG1' ' A' ' 33' ' ' THR . . . -98.12 179.65 4.69 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.345 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -66.34 148.51 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.887 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.22 143.54 16.54 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.324 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 30' ' ' VAL . . . -57.58 132.96 54.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.655 0.264 . . . . 0.0 111.063 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.98 159.77 20.13 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.696 -176.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.64 -135.26 15.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.632 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -87.82 157.84 18.9 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 30.0 m80 60.21 94.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.588 0.708 . . . . 0.0 110.294 -174.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.406 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 27.3 t -107.68 136.19 43.8 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.615 -176.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 55.4 t30 -143.01 123.04 13.58 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.661 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -101.61 123.41 45.58 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 175.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.506 ' OG1' ' HB3' ' A' ' 22' ' ' ALA . 4.5 p -101.95 120.79 40.97 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.239 0.542 . . . . 0.0 111.224 -177.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.655 ' HA ' ' O ' ' A' ' 20' ' ' ILE . 38.4 m -145.76 21.46 1.46 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.031 177.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.2 p -103.59 68.99 0.96 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.173 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.591 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -154.69 159.03 40.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.786 177.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.532 HD11 ' HB3' ' A' ' 80' ' ' GLN . 44.6 mm -100.57 131.44 48.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.81 0.338 . . . . 0.0 111.49 -174.244 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.478 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 52.2 t-80 -138.52 119.29 14.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.937 176.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.7 pt? -129.28 149.84 50.91 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 177.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.542 ' HG3' HG13 ' A' ' 71' ' ' ILE . 35.4 ttp180 -132.33 151.78 51.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.143 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.433 ' HB3' HD11 ' A' ' 70' ' ' ILE . 88.1 t80 -151.58 129.74 11.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.944 0.402 . . . . 0.0 110.699 177.074 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -105.46 138.26 41.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.05 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.584 HG13 HD12 ' A' ' 48' ' ' LEU . 2.3 mp -63.14 -43.77 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.893 -178.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -29.36 70.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.437 -177.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.74 -45.68 91.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.1 m -102.31 -2.1 29.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -177.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.23 68.98 1.42 Allowed Glycine 0 C--N 1.319 -0.394 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.658 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.584 HD12 HG13 ' A' ' 43' ' ' ILE . 89.0 mt -75.37 149.11 84.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.606 0.241 . . . . 0.0 110.667 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.23 159.28 27.17 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.887 2.392 . . . . 0.0 112.302 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.533 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -66.28 -34.21 77.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.713 -176.333 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -56.49 -35.9 68.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.01 0.433 . . . . 0.0 110.89 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.47 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 88.3 m-85 -81.54 -50.14 9.73 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.215 176.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -55.0 -46.95 75.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.122 -174.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.4 mm100 -63.5 -40.63 97.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.569 0.223 . . . . 0.0 111.286 -176.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 79.6 mtt180 -74.98 -31.44 61.44 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.141 -0.224 . . . . 0.0 111.443 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.508 HD23 HD22 ' A' ' 98' ' ' LEU . 96.2 mt -67.32 -29.42 68.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.767 0.318 . . . . 0.0 110.862 177.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.7 mt -89.41 -28.47 19.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.562 -178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.427 ' OG1' ' HA ' ' A' ' 55' ' ' ARG . 11.9 p -80.79 -37.8 29.62 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.758 0.313 . . . . 0.0 111.382 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.08 88.44 6.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 120.94 0.4 . . . . 0.0 110.021 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -69.44 91.33 0.56 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.049 -177.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.34 152.11 24.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.21 173.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -78.63 -16.22 57.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.369 0.604 . . . . 0.0 109.665 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.6 mt -67.91 -20.03 65.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.152 170.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.468 ' CD1' HG22 ' A' ' 70' ' ' ILE . 13.7 mm -88.01 126.15 41.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.579 ' HB2' HD13 ' A' ' 71' ' ' ILE . 21.0 t -68.6 -77.78 0.07 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.663 -174.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -174.03 -44.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.742 0.306 . . . . 0.0 110.882 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -82.4 35.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.616 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.33 32.56 75.98 Favored Glycine 0 C--O 1.227 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 113.12 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.0 p -131.48 144.63 36.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 64' ' ' ILE . 27.6 pt -101.05 138.62 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 -177.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.579 HD13 ' HB2' ' A' ' 65' ' ' SER . 2.7 mp -132.83 120.3 40.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.913 0.387 . . . . 0.0 110.047 177.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.28 125.41 74.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.095 0.474 . . . . 0.0 110.201 175.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.578 ' HB2' HD11 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -119.51 150.82 39.61 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 171.492 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.08 155.79 34.69 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.308 0.575 . . . . 0.0 112.273 -174.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.447 ' O ' ' HG3' ' A' ' 75' ' ' GLN . 17.4 pt20 -153.94 101.67 2.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.715 173.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -108.48 -36.75 6.14 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.84 -177.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -170.86 164.99 7.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -174.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 78' ' ' ARG . 7.6 mmt180 -66.99 -1.88 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 m -91.96 90.6 7.49 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 171.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.532 ' HB3' HD11 ' A' ' 37' ' ' ILE . 24.7 mp0 -64.06 -25.3 68.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.846 -174.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.58 -47.06 83.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.122 0.487 . . . . 0.0 110.441 176.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -35.1 77.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.986 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.543 HD22 ' N ' ' A' ' 83' ' ' ASN . 0.8 OUTLIER -67.61 -36.69 81.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.182 0.515 . . . . 0.0 109.845 179.632 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 84' ' ' ARG . 12.8 ttm180 -63.0 -49.57 74.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.043 177.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -56.59 -42.7 79.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.34 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.16 98.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.26 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.94 96.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.753 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.617 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 93.6 mt -65.12 -51.0 71.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.825 177.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.81 -36.61 72.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 94' ' ' VAL . 23.7 tpt180 -57.44 -52.07 66.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.096 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.1 pp -67.07 -38.74 86.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.864 -175.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.3 t -62.57 -44.07 99.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.524 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -61.69 -45.7 92.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 90' ' ' ARG . 82.7 t -57.11 -46.08 84.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.093 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 91' ' ' LEU . 84.6 mt -58.6 -45.88 90.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.817 0.341 . . . . 0.0 110.553 178.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -69.52 -19.89 63.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.786 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 8.5 mm-40 -75.93 -48.95 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.034 0.445 . . . . 0.0 110.467 176.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.508 HD22 HD23 ' A' ' 56' ' ' LEU . 11.1 mp -71.21 -40.81 70.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.166 -177.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.8 p -108.63 42.11 1.46 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.042 0.449 . . . . 0.0 111.212 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.46 140.2 58.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.813 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.618 ' HG2' ' H ' ' A' ' 102' ' ' GLN . 15.7 tt0 -89.33 -169.01 2.34 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.618 ' H ' ' HG2' ' A' ' 101' ' ' GLU . 30.3 mm-40 -71.81 102.42 2.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.118 0.485 . . . . 0.0 110.839 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -88.59 178.96 6.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.084 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.1 m 67.22 10.88 8.05 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.384 0.673 . . . . 0.0 112.004 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -87.28 164.28 16.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.27 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 106' ' ' ARG . 25.8 ttt180 -111.33 140.96 45.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.235 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.74 111.33 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 173.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' THR . . . . . 0.461 HG23 ' HG3' ' A' ' 109' ' ' ARG . 9.8 t -76.04 0.87 17.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.574 0.702 . . . . 0.0 111.403 -176.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.461 ' HG3' HG23 ' A' ' 108' ' ' THR . 86.5 mtt180 -129.28 92.62 38.3 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.942 -179.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -82.88 -179.88 4.78 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.264 2.643 . . . . 0.0 111.825 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.6 m 71.43 159.15 0.2 Allowed 'General case' 0 CA--C 1.538 0.517 0 O-C-N 123.442 0.464 . . . . 0.0 111.408 177.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.574 ' HE ' ' HA ' ' A' ' 112' ' ' ARG . 2.8 mmp_? 78.58 -23.74 0.24 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.809 0.843 . . . . 0.0 111.858 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.67 111.19 1.52 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.9 m -112.02 102.85 11.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.353 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.2 137.95 54.65 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.055 0.455 . . . . 0.0 111.136 -177.565 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -125.57 136.2 53.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.836 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -144.3 152.37 40.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.868 0.366 . . . . 0.0 111.128 -177.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -162.4 149.87 13.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.013 174.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 1.7 pt? -153.07 105.58 2.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.201 0.524 . . . . 0.0 110.184 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.7 p -152.58 98.91 2.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.605 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 122' ' ' LYS . 87.1 p -164.03 168.44 19.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.521 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.558 ' NZ ' ' HB2' ' A' ' 122' ' ' LYS . 8.8 mtmp? 74.26 99.73 0.07 Allowed 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.972 0.795 . . . . 0.0 111.819 177.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -143.67 117.03 9.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.601 174.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -155.2 127.46 7.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.765 0.317 . . . . 0.0 110.988 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -132.05 126.7 34.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.946 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.9 t 179.35 108.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.569 0.543 . . . . 0.0 110.33 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 32.2 m -143.49 108.07 4.85 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 4.8 p -131.82 88.93 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 122.145 0.974 . . . . 0.0 111.832 -176.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.415 ' HE3' ' HB3' ' A' ' 129' ' ' LYS . 27.7 mtpp -138.77 91.71 2.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.881 174.113 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -122.8 128.35 50.32 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.22 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.441 HD23 ' H ' ' A' ' 131' ' ' LEU . 2.3 pt? -132.36 147.0 52.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.996 0.427 . . . . 0.0 110.337 -178.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.767 ' HE ' ' HA ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -118.94 141.13 48.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.214 -179.024 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -110.36 -159.47 17.11 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.034 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.538 ' O ' ' HD2' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -149.61 127.26 11.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.262 0.554 . . . . 0.0 110.772 177.526 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 42.2 t -101.35 85.48 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.451 0.644 . . . . 0.0 110.086 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -162.07 111.79 1.52 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.385 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -149.29 89.71 4.78 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.327 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -92.64 157.61 2.91 Favored 'Trans proline' 0 N--CA 1.448 -1.173 0 C-N-CA 123.195 2.596 . . . . 0.0 111.683 174.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.8 mp -98.44 126.58 44.03 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -72.26 137.29 46.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.98 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 5.4 tt -78.3 95.9 5.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.19 0.519 . . . . 0.0 109.856 -177.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -99.28 94.22 6.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.007 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -135.56 104.0 5.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.181 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -65.47 171.72 3.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.233 176.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -61.16 148.45 40.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.122 0.487 . . . . 0.0 112.152 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -51.74 133.38 31.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.669 -175.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -98.04 132.51 43.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.568 174.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 35.3 p80 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.805 177.062 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptm . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.541 HD11 HD11 ' A' ' 15' ' ' LEU . 4.4 mp -91.99 122.03 43.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.988 -176.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.54 108.07 20.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.677 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.494 ' HB ' ' O ' ' A' ' 8' ' ' VAL . 42.1 mm -95.8 159.87 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -65.91 -178.99 0.65 Allowed 'General case' 0 C--O 1.239 0.545 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -175.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 69.91 -76.91 0.06 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.019 -177.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.6 t -178.55 24.27 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.946 0.403 . . . . 0.0 110.798 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.494 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 44.5 t -116.76 117.26 54.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.613 0.244 . . . . 0.0 110.949 -174.209 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 m -115.39 150.47 36.32 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 174.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.63 130.28 74.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.97 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.469 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -68.18 129.67 40.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.513 178.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -75.94 -13.19 60.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.252 0.549 . . . . 0.0 110.393 -178.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -74.8 -12.42 60.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.39 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.469 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 19.3 mm-40 -87.55 -9.65 53.82 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.353 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.541 HD11 HD11 ' A' ' 2' ' ' ILE . 85.5 mt -77.07 143.75 39.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.188 0.518 . . . . 0.0 111.79 -173.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.657 ' HB2' ' HB2' ' A' ' 40' ' ' ARG . 45.9 mt-10 -91.47 109.02 20.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.252 175.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.8 mm -89.95 127.91 42.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.08 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.13 147.51 50.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.281 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.06 149.15 21.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.084 177.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.3 mm -87.41 127.02 41.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.107 0.479 . . . . 0.0 110.452 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.08 -172.6 2.53 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.003 -177.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.67 15.68 25.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.295 0.569 . . . . 0.0 109.937 177.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -96.79 -158.31 0.65 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.409 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 27' ' ' GLY . . . -95.7 -157.83 32.13 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.174 176.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 75.02 -48.59 0.64 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.596 0.758 . . . . 0.0 111.546 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.71 54.87 0.58 Allowed Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 174.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.438 ' O ' ' HA2' ' A' ' 24' ' ' GLY . . . 97.48 -167.53 23.52 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 -168.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -139.2 133.53 31.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.619 0.71 . . . . 0.0 109.574 174.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.2 p80 40.77 94.13 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.597 1.186 . . . . 0.0 113.429 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.782 HG22 ' H ' ' A' ' 32' ' ' LYS . 13.5 p -140.11 152.73 22.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.003 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -120.11 13.16 12.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.921 0.391 . . . . 0.0 111.33 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.782 ' H ' HG22 ' A' ' 30' ' ' VAL . 22.2 mttp -102.86 85.18 2.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.627 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 t -152.25 102.54 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.052 0.929 . . . . 0.0 111.347 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 p -115.27 -67.63 0.98 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.454 176.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 p -138.56 84.59 2.03 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.293 174.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 75' ' ' GLN . . . -118.45 130.36 55.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.428 -173.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.488 HD11 ' HG3' ' A' ' 80' ' ' GLN . 25.7 mm -100.61 120.45 50.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.656 176.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -118.15 107.44 13.97 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.458 174.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.692 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.7 pt? -112.09 149.44 32.11 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.469 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.657 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 79.0 mtp180 -108.14 114.82 29.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.615 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -115.32 101.57 9.06 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 173.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.474 ' HB3' HG23 ' A' ' 69' ' ' VAL . 7.7 p-10 -110.33 140.87 44.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.791 0.805 . . . . 0.0 111.954 -173.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.818 HG13 HD12 ' A' ' 48' ' ' LEU . 2.5 mp -73.68 -40.62 54.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.166 178.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -44.27 -48.22 9.46 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.954 -175.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.43 -20.27 28.42 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -176.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 p -94.94 178.81 5.44 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 121.149 0.5 . . . . 0.0 111.063 -174.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.05 60.2 0.56 Allowed Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.675 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.818 HD12 HG13 ' A' ' 43' ' ' ILE . 92.5 mt -76.25 147.39 79.5 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-O 120.545 0.212 . . . . 0.0 110.516 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -56.43 131.49 46.07 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.888 2.392 . . . . 0.0 111.564 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.586 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 44.0 tt0 -63.38 -30.97 72.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.413 -173.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -57.68 -40.21 78.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.624 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.445 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 5.4 m-85 -81.0 -38.25 27.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.157 0.503 . . . . 0.0 110.001 176.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.586 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 87.7 tttt -54.97 -48.29 73.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.556 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.425 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 16.0 mm-40 -61.87 -42.7 99.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.366 -178.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -59.67 -43.0 94.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.989 177.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.502 ' HA ' HD23 ' A' ' 98' ' ' LEU . 83.4 mt -63.23 -39.38 94.45 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.044 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.0 mt -78.27 -14.93 59.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.609 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.8 m -92.42 -49.26 6.23 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.529 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.439 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . . . -97.5 96.4 8.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.953 0.406 . . . . 0.0 111.723 -175.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.4 t -77.89 79.31 4.37 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 173.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.491 ' O ' ' HB2' ' A' ' 62' ' ' HIS . 2.8 t60 -64.14 -43.83 94.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.874 -176.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 61' ' ' HIS . 66.6 t60 173.56 -40.72 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.862 0.726 . . . . 0.0 110.391 174.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.432 HD13 HG13 ' A' ' 72' ' ' ILE . 82.8 mt -78.16 -13.89 59.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.746 -176.69 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.1 mm -84.25 125.23 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -86.69 -85.02 0.17 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.095 -178.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -161.07 -54.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.578 0.228 . . . . 0.0 111.027 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -61.75 -15.94 45.26 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.344 -174.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.59 39.83 2.31 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -173.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.474 HG23 ' HB3' ' A' ' 42' ' ' ASP . 7.1 p -128.87 143.38 41.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 43.3 mt -105.99 118.45 53.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.915 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.9 mp -106.12 117.73 52.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.121 0.486 . . . . 0.0 110.419 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.692 ' HB ' HD21 ' A' ' 39' ' ' LEU . 4.5 mp -114.39 125.26 71.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 37' ' ' ILE . 6.1 ptmm? -119.34 129.73 55.0 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -126.28 123.5 38.23 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.347 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.497 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 3.1 pt20 -157.2 102.22 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -144.63 -43.84 0.24 Allowed 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.423 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -128.34 173.17 10.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.359 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.846 ' HG2' ' H ' ' A' ' 79' ' ' SER . 16.9 ttp180 -90.93 -164.4 1.17 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.846 ' H ' ' HG2' ' A' ' 78' ' ' ARG . 23.8 m 68.44 82.33 0.17 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.434 0.635 . . . . 0.0 109.965 -176.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.488 ' HG3' HD11 ' A' ' 37' ' ' ILE . 2.5 mp0 -59.4 -16.33 22.4 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.804 -172.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -56.79 -50.16 73.17 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 120.864 0.364 . . . . 0.0 110.719 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 79' ' ' SER . 4.0 pp -76.47 -34.47 58.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.332 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -57.44 -41.92 81.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.417 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -61.88 -52.45 64.05 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.3 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -60.7 -41.87 96.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.782 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.471 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -62.47 -38.98 91.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.031 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.85 99.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.975 0.417 . . . . 0.0 110.384 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.648 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 76.9 mt -64.09 -47.95 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.591 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.79 -39.25 77.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.471 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 6.2 mpt_? -59.69 -48.37 81.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.747 177.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.8 pp -69.55 -34.86 74.81 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.784 -176.448 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 88' ' ' ILE . 93.7 t -62.04 -44.48 99.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.935 178.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.84 96.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.59 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 90' ' ' ARG . 90.8 t -59.94 -39.42 80.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.961 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 91' ' ' LEU . 83.5 mt -57.2 -41.18 77.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.688 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -67.54 -32.68 73.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.314 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.5 -34.19 73.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.841 0.353 . . . . 0.0 111.455 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' ' 56' ' ' LEU . 11.3 mp -89.49 -8.34 53.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.913 -176.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.9 p -102.0 -56.26 2.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.012 0.434 . . . . 0.0 110.625 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.56 170.67 9.75 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.501 176.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -51.02 116.96 2.24 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 123.079 0.237 . . . . 0.0 110.415 175.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.57 126.5 13.64 Favored 'General case' 0 C--O 1.233 0.219 0 O-C-N 123.951 0.782 . . . . 0.0 112.17 -171.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -91.14 155.34 18.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.633 -177.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.0 p -70.48 113.37 7.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.909 0.385 . . . . 0.0 111.49 -178.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.509 ' NE ' ' HA ' ' A' ' 105' ' ' ARG . 3.5 mmp_? -123.85 150.48 44.52 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -81.16 100.88 9.31 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.257 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -105.61 113.44 27.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.758 -175.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.0 m -87.01 109.2 19.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.287 173.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.766 ' HB2' ' HD3' ' A' ' 110' ' ' PRO . 95.8 mtt180 -96.59 -66.12 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -173.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.766 ' HD3' ' HB2' ' A' ' 109' ' ' ARG . 92.5 Cg_endo -89.56 140.14 3.58 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.215 1.944 . . . . 0.0 114.685 -165.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 111' ' ' THR . 7.6 t -175.11 97.6 0.08 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.461 171.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -138.8 135.81 35.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.318 -176.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -142.4 -84.49 0.17 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.44 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.2 m -68.63 132.93 47.72 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.949 0.404 . . . . 0.0 111.336 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -120.35 136.32 54.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.625 -176.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -164.02 94.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.031 0.444 . . . . 0.0 110.595 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -147.94 100.71 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.124 176.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 118' ' ' ARG . 44.5 mtp85 -88.42 157.71 18.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.502 178.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -127.66 122.25 32.53 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.1 p -144.63 96.89 2.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.115 0.483 . . . . 0.0 111.475 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.8 p -163.34 114.17 1.4 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 177.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -152.14 139.01 18.96 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.299 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.69 142.66 24.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.524 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -147.36 151.92 37.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.642 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -164.8 144.58 7.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.154 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.8 m -129.58 124.56 34.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.733 0.301 . . . . 0.0 110.808 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.5 m -152.61 97.12 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.14 114.13 2.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.139 0.495 . . . . 0.0 111.622 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -153.2 136.11 15.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.796 176.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -154.33 155.08 34.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.664 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.7 pp -158.99 165.67 33.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.71 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -171.8 144.86 1.84 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.767 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.38 127.7 1.69 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.068 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -149.14 133.86 17.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.712 0.256 . . . . 0.0 110.639 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 6.6 p -153.0 123.85 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.984 0.421 . . . . 0.0 110.773 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -132.35 178.2 7.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.021 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -146.62 150.01 38.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.051 -178.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.67 -171.44 0.32 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.966 2.444 . . . . 0.0 111.867 175.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 40.6 tp -141.09 118.58 11.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.892 0.377 . . . . 0.0 111.343 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -88.98 121.38 31.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.723 175.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.8 mt -128.61 164.92 21.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.855 0.359 . . . . 0.0 111.19 -176.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.84 168.38 13.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.677 174.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -160.57 117.56 2.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.139 0.495 . . . . 0.0 110.448 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -74.54 144.24 44.14 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.987 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -123.59 109.73 14.14 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 175.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -106.19 129.36 54.26 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.781 -175.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -71.36 -20.74 62.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.565 -174.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 . . . . . 0 C--O 1.245 0.817 0 CA-C-O 118.944 -0.551 . . . . 0.0 109.968 177.915 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 3.7 mp -92.84 97.07 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.42 102.67 14.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.138 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.57 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 18.4 mm -84.17 154.6 3.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 176.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -72.27 168.09 19.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.11 0.481 . . . . 0.0 111.146 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.438 ' HG2' HG22 ' A' ' 7' ' ' THR . 40.4 ttm180 69.7 -76.17 0.06 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.679 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.438 HG22 ' HG2' ' A' ' 6' ' ' ARG . 11.1 t -161.57 20.02 0.11 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -170.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.57 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 22.3 t -120.3 145.76 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 121.833 -0.542 . . . . 0.0 110.514 -177.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -154.54 151.73 29.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 173.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 mp -126.07 139.34 51.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 146.53 53.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.191 0.52 . . . . 0.0 111.429 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.53 -43.02 99.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.922 -171.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -87.38 10.33 17.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.874 0.368 . . . . 0.0 111.572 -173.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -89.61 -0.45 57.53 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 120.778 0.323 . . . . 0.0 111.215 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.9 mt -80.78 145.72 31.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -93.4 114.27 26.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.187 174.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -109.86 114.85 48.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.115 -176.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.89 149.74 31.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.059 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.2 150.55 20.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.158 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.8 mt -104.31 129.6 56.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.768 0.318 . . . . 0.0 110.351 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -74.03 -65.32 0.85 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.4 -177.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.35 172.81 7.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.715 -176.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.495 ' OE1' ' HA ' ' A' ' 30' ' ' VAL . 46.0 mt-30 -86.1 120.69 27.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.468 -178.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.41 51.73 4.6 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.593 176.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -163.42 104.82 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.683 0.393 . . . . 0.0 110.167 -178.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.2 99.81 2.46 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.97 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 163.38 -42.74 0.33 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.766 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -82.47 177.31 8.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -56.16 126.93 28.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.948 0.404 . . . . 0.0 111.007 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.495 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 21.5 t -107.61 135.7 45.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 -176.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.7 p-10 -152.73 148.97 27.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.675 175.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -93.84 80.32 4.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.326 0.584 . . . . 0.0 110.513 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.8 m -155.98 129.4 8.27 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.298 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.9 m -78.24 83.45 4.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.234 0.54 . . . . 0.0 110.666 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.694 ' HA ' HE21 ' A' ' 80' ' ' GLN . 12.0 p -104.55 9.81 35.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.943 175.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.36 133.05 54.67 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.548 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 80' ' ' GLN . 46.9 mm -100.33 129.54 50.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.398 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -118.87 112.39 19.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.005 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.455 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.1 pt? -125.63 149.91 48.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.943 0.401 . . . . 0.0 110.679 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -127.12 140.27 52.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.027 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -134.68 112.75 11.04 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.5 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.517 ' HB3' HG23 ' A' ' 69' ' ' VAL . 5.9 p-10 -112.02 162.07 15.78 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.967 0.413 . . . . 0.0 110.76 -178.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 68' ' ' GLY . 35.1 mt -56.22 -44.47 79.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.508 -179.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -68.34 -13.25 62.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.835 -173.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.74 -5.39 55.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.954 0.407 . . . . 0.0 111.4 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -155.67 -163.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.276 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.52 61.17 0.56 Allowed Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.455 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 86.0 mt -66.59 143.91 98.38 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.598 0.237 . . . . 0.0 110.941 -176.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 24.9 Cg_exo -62.96 143.35 90.97 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.484 2.123 . . . . 0.0 111.561 177.07 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.466 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 13.8 pt-20 -59.66 -29.25 67.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.363 -176.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.47 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 89.5 m-85 -62.32 -34.22 76.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.79 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.571 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 25.8 m-85 -81.57 -42.79 19.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.708 176.438 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.466 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 12.1 tmtt? -56.83 -43.56 81.19 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.716 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -63.95 -45.89 87.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.714 0.292 . . . . 0.0 111.264 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.524 ' HD3' ' O ' ' A' ' 98' ' ' LEU . 72.7 mtt180 -66.54 -24.71 66.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.672 -177.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 52' ' ' TYR . 95.5 mt -61.01 -31.52 71.13 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.021 0.439 . . . . 0.0 111.059 177.073 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -91.35 -22.3 20.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.375 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.519 ' OG1' ' HA ' ' A' ' 55' ' ' ARG . 34.7 p -86.78 -39.3 16.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.74 0.305 . . . . 0.0 111.441 -177.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.533 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . . . -95.9 87.65 4.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.984 0.421 . . . . 0.0 110.933 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 m -60.73 130.96 49.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.507 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.7 158.71 43.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.419 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -69.22 0.44 4.85 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.811 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.488 HD12 HG21 ' A' ' 94' ' ' VAL . 93.2 mt -104.75 -8.3 18.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.061 0.458 . . . . 0.0 110.846 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.3 mm -89.59 134.69 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.346 -178.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.413 ' OG ' HD13 ' A' ' 71' ' ' ILE . 28.0 m -90.8 -63.76 1.22 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.65 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -158.77 -75.72 0.08 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -177.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -99.47 60.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.304 0.573 . . . . 0.0 111.708 -169.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.437 ' O ' HG13 ' A' ' 43' ' ' ILE . . . 72.41 38.59 58.1 Favored Glycine 0 C--N 1.322 -0.202 0 CA-C-N 115.393 -0.821 . . . . 0.0 113.667 171.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.517 HG23 ' HB3' ' A' ' 42' ' ' ASP . 9.0 p -120.96 142.29 37.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 173.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.5 mp -112.41 117.4 55.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.979 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.413 HD13 ' OG ' ' A' ' 65' ' ' SER . 1.8 mp -107.91 121.21 60.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.856 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.1 mp -115.36 131.81 66.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 37' ' ' ILE . 14.6 pttp -119.58 131.46 55.52 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 171.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.708 ' HB2' ' HB2' ' A' ' 87' ' ' ALA . . . -115.7 133.01 56.46 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.37 -176.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -153.57 104.12 2.7 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.659 0.742 . . . . 0.0 109.588 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.514 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 40.1 tt0 -112.11 -79.18 0.58 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.846 178.25 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.514 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 68.0 m-85 -120.23 -84.86 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.422 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.629 ' HA ' ' HB2' ' A' ' 35' ' ' SER . 39.7 ttm-85 -154.49 4.81 0.25 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.696 -176.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 m -98.23 97.23 8.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.856 0.36 . . . . 0.0 110.783 -176.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.694 HE21 ' HA ' ' A' ' 35' ' ' SER . 26.0 mp0 -56.31 -41.93 76.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.772 -175.131 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 44.2 tt0 -59.03 -55.26 37.47 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -175.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 pp -72.05 -31.02 65.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.769 0.318 . . . . 0.0 110.279 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.64 -41.03 98.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.929 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -60.04 -54.51 45.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.464 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 81' ' ' GLU . 16.9 mm-40 -57.69 -38.77 75.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.408 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.526 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -65.37 -39.37 92.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.889 177.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.708 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . . . -62.7 -37.21 85.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.97 0.414 . . . . 0.0 110.376 177.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.672 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 74.7 mt -64.47 -48.61 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.181 175.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.33 -34.8 74.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 177.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.526 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 7.6 mpt_? -58.32 -50.93 71.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.319 176.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 4.0 pp -68.05 -34.13 75.88 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.463 -176.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 88' ' ' ILE . 85.2 t -60.15 -44.38 95.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.697 175.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.517 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -63.95 -39.66 94.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.643 178.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.488 HG21 HD12 ' A' ' 63' ' ' LEU . 71.2 t -60.66 -41.82 89.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.502 177.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 91' ' ' LEU . 91.4 mt -55.42 -41.65 63.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.716 176.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -71.15 -28.62 64.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.18 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.685 ' HB3' HH11 ' A' ' 105' ' ' ARG . 87.3 mt-10 -70.24 -37.79 75.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.989 0.423 . . . . 0.0 110.573 177.607 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.533 ' HG ' ' HB3' ' A' ' 59' ' ' ALA . 11.1 mp -80.01 -38.43 32.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.245 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -89.83 18.57 5.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.465 0.65 . . . . 0.0 110.679 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.69 167.1 13.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.579 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 102' ' ' GLN . 34.9 tt0 -95.33 161.4 14.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.316 -0.856 . . . . 0.0 108.848 178.023 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 15.9 mm100 69.17 -163.82 0.18 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -174.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -78.57 -75.52 0.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.694 0.283 . . . . 0.0 110.671 -178.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.1 t 55.93 -169.85 0.08 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.321 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.993 ' HA ' ' HE ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER 46.57 43.37 12.33 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.72 0.808 . . . . 0.0 112.426 174.657 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -80.65 -12.87 59.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.281 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.77 94.65 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.943 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 t -115.01 125.18 53.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.816 -177.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -122.14 100.41 42.56 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.291 175.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.97 111.93 2.98 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.032 2.488 . . . . 0.0 112.878 -176.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 60.2 m -102.04 129.84 48.45 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 172.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 112' ' ' ARG . 0.7 OUTLIER -117.74 75.27 0.98 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -174.441 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -116.3 111.12 19.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.167 -175.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.6 m -108.21 130.16 55.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.48 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -151.22 100.4 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -178.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -136.5 117.46 14.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.443 -174.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -174.09 146.66 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 171.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -148.19 112.2 5.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.466 0.651 . . . . 0.0 111.045 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -139.12 10.85 2.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.127 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.8 m -86.0 41.58 0.93 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.089 -174.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.9 m -133.52 23.2 4.02 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -172.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 122' ' ' LYS . 0.3 OUTLIER -138.08 120.45 15.92 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.908 175.47 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -179.66 119.04 0.06 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.692 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? -146.91 103.53 3.63 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.78 -178.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.451 ' HA ' ' HD2' ' A' ' 125' ' ' LYS . 42.6 tptt -171.12 104.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.126 171.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 61.0 m -156.31 75.59 0.88 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.1 m -164.21 95.51 0.76 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.208 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 128' ' ' VAL . 5.8 p -159.28 86.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.789 0.804 . . . . 0.0 111.513 177.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -159.91 114.12 2.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.782 173.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -171.66 89.12 0.11 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.325 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.3 tp -144.45 87.79 1.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.143 0.497 . . . . 0.0 111.29 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -162.41 98.41 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.572 171.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -158.53 124.07 1.34 Allowed Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -152.18 141.77 21.77 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 26.9 m -70.95 137.1 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.692 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.675 ' O ' ' HD2' ' A' ' 136' ' ' ARG . 1.5 ppt_? -154.69 133.0 11.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.612 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -171.95 117.6 0.42 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.988 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -85.94 149.75 9.62 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.625 2.217 . . . . 0.0 111.673 174.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.6 mp -121.1 105.27 10.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.09 0.471 . . . . 0.0 110.897 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -97.99 7.19 46.72 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.46 103.08 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.403 -176.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -167.17 111.42 0.72 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.502 175.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -118.83 100.19 7.24 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.629 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -72.93 83.27 1.22 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.309 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -132.69 77.69 1.76 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.916 -175.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -138.5 91.39 2.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.592 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -104.51 144.38 31.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.009 0.433 . . . . 0.0 111.665 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 4.2 p80 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.663 171.718 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.5 ttp . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 57.7 mt -81.85 119.96 32.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.271 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.42 122.66 32.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.873 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.694 ' HB ' HG13 ' A' ' 8' ' ' VAL . 24.2 mm -101.21 166.43 2.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.541 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 42.2 m -55.48 148.6 15.13 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.541 ' HB2' ' O ' ' A' ' 5' ' ' SER . 8.5 mpt_? 71.05 -164.49 0.14 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -167.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.9 t -90.45 5.16 48.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.849 0.356 . . . . 0.0 111.714 -176.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.694 HG13 ' HB ' ' A' ' 4' ' ' ILE . 9.1 p -78.48 144.75 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.014 0.435 . . . . 0.0 110.719 -178.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -147.12 155.9 42.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.762 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.0 mt -125.69 135.39 64.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.162 -178.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.495 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -81.6 136.84 35.55 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.267 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -66.9 -20.04 65.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.084 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -71.75 -23.11 61.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.447 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.495 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 46.3 mt-10 -78.08 -16.14 58.28 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.032 -179.045 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -83.04 124.43 30.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.096 0.474 . . . . 0.0 111.031 -177.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -83.1 103.62 12.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.462 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 35.5 mm -98.16 130.42 46.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.198 -177.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.84 149.89 50.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 -178.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.27 129.71 44.55 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 38' ' ' HIS . 36.9 mt -104.45 126.45 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -124.57 102.3 7.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.066 169.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.72 20.72 9.45 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 173.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.53 ' HB2' HG23 ' A' ' 20' ' ' ILE . 82.8 mm-40 -72.53 143.42 48.34 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.998 0.428 . . . . 0.0 111.289 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.452 ' HA2' ' CB ' ' A' ' 28' ' ' GLN . . . -118.61 61.91 0.45 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.997 -176.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.1 134.74 19.85 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.378 -0.231 . . . . 0.0 110.378 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.17 70.76 0.93 Allowed Glycine 0 C--N 1.331 0.298 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.73 72.86 0.91 Allowed Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -173.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.452 ' CB ' ' HA2' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -62.86 136.14 57.7 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -171.709 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.8 m80 59.73 -173.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.117 -1.401 . . . . 0.0 111.522 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.7 p -173.01 -33.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.308 0.575 . . . . 0.0 110.636 177.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -140.22 153.5 46.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.859 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -69.07 -21.34 64.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.177 0.513 . . . . 0.0 110.862 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.3 m -114.94 12.61 16.85 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.314 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 35' ' ' SER . 67.1 m 58.63 -150.28 0.44 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.96 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.458 ' HB3' ' O ' ' A' ' 34' ' ' SER . 34.9 t 76.91 84.35 0.08 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.75 0.786 . . . . 0.0 110.869 -178.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.49 159.68 44.05 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.113 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mm -99.15 127.01 52.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-O 121.071 0.462 . . . . 0.0 110.633 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.59 ' HB2' HD11 ' A' ' 20' ' ' ILE . 45.1 t-80 -103.62 125.57 50.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.073 177.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.747 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.5 pt? -132.5 144.77 50.67 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.495 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 39.2 ptt85 -138.7 154.61 48.59 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.963 178.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -152.56 118.49 5.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.725 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.98 81.43 8.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.729 0.775 . . . . 0.0 110.756 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.563 HG23 ' HB2' ' A' ' 48' ' ' LEU . 54.6 mt -56.01 -42.45 71.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.964 178.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.605 ' HB2' ' HA3' ' A' ' 68' ' ' GLY . 41.0 ttt85 -56.48 -24.85 48.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.26 178.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.0 -54.17 3.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.652 0.263 . . . . 0.0 111.345 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -143.19 149.46 38.03 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-O 120.681 0.277 . . . . 0.0 111.518 -175.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.39 -95.42 0.58 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.896 -0.668 . . . . 0.0 114.318 167.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.563 ' HB2' HG23 ' A' ' 43' ' ' ILE . 95.4 mt -75.89 155.39 84.86 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -171.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.581 ' HD3' HG21 ' A' ' 8' ' ' VAL . 31.3 Cg_exo -60.76 153.18 64.36 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.97 2.447 . . . . 0.0 111.718 176.039 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.577 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 43.9 mt-10 -68.84 -18.81 64.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.88 -174.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.448 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 44.6 m-85 -57.97 -53.47 57.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.791 0.329 . . . . 0.0 110.281 173.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.46 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 54.5 m-85 -65.11 -45.02 86.86 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.492 175.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.577 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 39.6 ttmt -51.06 -52.3 44.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.967 -176.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -61.7 -41.78 98.06 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -176.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 22.7 mmt180 -67.76 -32.23 72.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.713 0.292 . . . . 0.0 111.199 -178.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.471 HD23 ' HG ' ' A' ' 98' ' ' LEU . 66.0 mt -66.08 -34.46 78.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 57' ' ' LEU . 4.3 mm? -82.96 -44.21 15.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.6 p -66.92 -37.52 84.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.377 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.39 83.41 2.82 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 174.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.7 m -69.59 92.12 0.63 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.634 0.73 . . . . 0.0 110.305 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.402 ' C ' ' H ' ' A' ' 63' ' ' LEU . 1.9 t60 -85.12 15.31 4.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.616 -175.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.0 t60 71.9 -33.99 0.29 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.968 0.907 . . . . 0.0 111.65 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.402 ' H ' ' C ' ' A' ' 61' ' ' HIS . 92.7 mt -63.37 -25.4 68.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.275 0.559 . . . . 0.0 110.376 174.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.0 mm -75.09 124.71 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 169.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.456 ' HB2' HG13 ' A' ' 69' ' ' VAL . 16.1 m -74.79 -64.21 1.09 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -168.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -149.25 -81.64 0.12 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.88 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -105.39 61.73 0.68 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.553 0.692 . . . . 0.0 110.878 -172.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.605 ' HA3' ' HB2' ' A' ' 44' ' ' ARG . . . 75.37 31.53 56.82 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.241 -0.891 . . . . 0.0 113.481 174.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.456 HG13 ' HB2' ' A' ' 65' ' ' SER . 12.0 p -125.59 144.07 36.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.495 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 33.3 pt -109.54 129.69 63.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.905 0.383 . . . . 0.0 111.135 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.409 HG13 ' HB3' ' A' ' 40' ' ' ARG . 1.7 mp -122.98 117.04 50.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.747 ' HB ' HD21 ' A' ' 39' ' ' LEU . 4.7 mp -114.45 147.86 17.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.134 -177.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -119.14 151.6 38.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.85 0.357 . . . . 0.0 110.164 173.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.23 137.2 12.52 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.933 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -166.84 104.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.608 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -109.61 -29.35 8.41 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.144 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -155.34 -173.57 4.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -69.77 -28.73 66.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.624 0.25 . . . . 0.0 110.385 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.4 m -59.64 109.5 0.93 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.772 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.507 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 23.8 mp0 -61.41 -41.56 97.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.396 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -54.6 -50.71 67.39 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.488 -176.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.663 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -68.68 -33.24 73.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.68 -178.22 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.84 -35.01 74.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.757 0.313 . . . . 0.0 110.466 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 33.6 mtp-105 -68.28 -48.01 66.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.245 175.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.663 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -64.46 -34.21 77.67 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.644 -177.416 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.42 ' O ' ' HD2' ' A' ' 90' ' ' ARG . . . -67.79 -40.22 83.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.518 177.096 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.473 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -61.43 -42.94 99.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 177.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.702 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.2 mt -61.38 -49.56 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.742 176.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.4 -35.56 79.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.197 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.493 ' O ' HG23 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -63.32 -40.14 96.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.638 178.04 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.5 pp -72.81 -34.13 66.66 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.155 -179.201 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 88' ' ' ILE . 95.4 t -62.63 -37.25 78.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.113 0.483 . . . . 0.0 109.808 174.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -61.79 -41.19 97.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.037 176.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.549 ' HA ' ' OE1' ' A' ' 97' ' ' GLU . 44.0 t -64.38 -45.31 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.497 177.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 86.9 mt -55.06 -44.96 76.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.273 0.559 . . . . 0.0 110.375 175.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -62.01 -30.29 70.85 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.495 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.549 ' OE1' ' HA ' ' A' ' 94' ' ' VAL . 53.4 mt-10 -66.56 -44.06 83.33 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.878 0.371 . . . . 0.0 111.164 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.471 ' HG ' HD23 ' A' ' 56' ' ' LEU . 4.4 mm? -67.77 -34.15 76.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.888 -174.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 p -84.05 -11.16 57.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.761 0.315 . . . . 0.0 111.54 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.27 119.66 21.94 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 175.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -71.06 -44.94 64.73 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.804 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -121.97 111.05 16.58 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.151 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.744 ' HG3' ' H ' ' A' ' 104' ' ' SER . 16.6 pttm -131.28 -77.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -175.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.744 ' H ' ' HG3' ' A' ' 103' ' ' LYS . 34.6 t 66.24 178.25 0.21 Allowed 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -173.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.571 ' HG2' ' N ' ' A' ' 106' ' ' ARG . 37.7 ttm180 70.06 167.18 0.29 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.44 0.296 . . . . 0.0 110.904 178.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.571 ' N ' ' HG2' ' A' ' 105' ' ' ARG . 36.2 ttt-85 66.19 43.39 2.84 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.464 0.649 . . . . 0.0 110.607 171.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -121.53 22.39 10.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.588 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.7 t -137.49 124.29 21.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.313 0.577 . . . . 0.0 111.915 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -147.0 112.21 4.14 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.281 174.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.6 147.22 90.07 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.1 m -133.61 120.54 20.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.94 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.481 ' HD2' ' N ' ' A' ' 112' ' ' ARG . 4.0 mpt_? -96.1 127.39 42.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.039 0.447 . . . . 0.0 111.554 -173.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -100.87 75.35 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.876 176.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.2 m -103.36 129.47 50.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.104 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -110.55 157.54 19.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.874 0.369 . . . . 0.0 111.607 -173.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -125.05 -57.01 1.53 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.211 171.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 51.33 69.47 0.65 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.839 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . 0.45 HH11 ' HD3' ' A' ' 118' ' ' ARG . 35.7 ttt180 -138.24 132.43 31.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.224 -175.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.8 pp -155.1 154.26 32.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.634 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.3 t -176.98 97.72 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.3 m -122.78 100.76 7.07 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -176.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LYS . . . . . 0.485 ' O ' ' HG3' ' A' ' 122' ' ' LYS . 23.1 pttm -160.88 113.77 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.843 169.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -153.8 93.18 1.63 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -156.36 72.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.46 0.648 . . . . 0.0 109.851 171.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -142.04 111.67 6.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.259 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.4 p -116.12 104.46 11.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.084 0.468 . . . . 0.0 111.737 -175.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 32.5 t -120.68 128.1 52.66 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 5.9 m -133.98 114.37 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -172.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -163.19 82.49 0.48 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.069 172.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -89.06 101.04 13.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.442 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.0 tt -156.16 126.88 6.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.148 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -150.79 173.95 13.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.921 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 159.76 100.85 0.17 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.263 -0.97 . . . . 0.0 113.02 178.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -163.05 154.51 17.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.78 0.324 . . . . 0.0 110.372 176.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 11.5 p -143.35 143.5 24.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -119.97 171.29 8.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.996 0.427 . . . . 0.0 111.471 -177.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -117.27 137.68 24.23 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.493 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.29 148.04 48.57 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.59 2.193 . . . . 0.0 111.864 175.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 8.8 tt -91.6 133.19 35.77 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -178.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -114.34 146.04 41.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.555 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.2 pp -160.76 150.53 17.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.55 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -136.22 104.74 5.75 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 171.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -117.16 98.37 6.41 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.118 0.485 . . . . 0.0 110.293 -175.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -106.87 157.62 17.62 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.449 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -144.82 135.38 24.47 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -142.54 116.67 9.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.988 0.423 . . . . 0.0 111.734 -169.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -135.74 163.8 29.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 172.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.013 -178.014 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.3 ptm . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 3.3 mp -89.51 124.23 42.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.63 127.43 47.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.043 -178.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.783 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 27.0 mm -109.3 165.5 5.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.443 ' N ' HG22 ' A' ' 4' ' ' ILE . 9.9 p -64.57 170.6 3.88 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 120.785 0.326 . . . . 0.0 111.592 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 69.89 -78.87 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.946 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -173.16 21.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.055 0.455 . . . . 0.0 110.728 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.783 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 25.2 t -91.34 144.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -176.29 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 m -142.91 150.87 40.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.766 0.317 . . . . 0.0 110.609 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 66.9 mt -127.38 143.98 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.757 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.542 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -66.08 138.68 57.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.149 0.499 . . . . 0.0 111.092 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 24.2 t70 -65.01 -27.49 68.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.363 -177.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -81.44 -3.71 53.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.786 -176.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.542 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 52.9 mm-40 -84.06 -48.74 9.58 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -177.304 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD12 HG12 ' A' ' 2' ' ' ILE . 66.0 mt -77.02 145.96 37.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -175.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 44.0 mt-10 -79.66 97.21 6.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.961 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.4 mm -88.73 112.2 23.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.96 151.33 48.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.921 0.391 . . . . 0.0 111.214 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.21 150.66 27.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.044 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.648 HG12 ' HB2' ' A' ' 38' ' ' HIS . 26.2 mt -85.99 94.88 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.29 0.567 . . . . 0.0 112.33 -175.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -95.01 90.72 6.05 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 166.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 31' ' ' ASN . . . -86.68 21.2 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.431 -169.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 73.33 149.43 0.1 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.424 0.631 . . . . 0.0 111.087 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -168.52 139.18 5.52 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.22 173.26 6.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.621 0.248 . . . . 0.0 110.885 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.54 76.1 1.74 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.8 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.431 ' O ' ' HG2' ' A' ' 28' ' ' GLN . . . 132.36 91.06 0.49 Allowed Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -178.311 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 19.3 pt20 53.21 -165.32 0.08 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.23 1.012 . . . . 0.0 111.662 -177.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.44 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 32.0 m170 69.6 6.57 5.78 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 122.849 0.46 . . . . 0.0 111.042 -172.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.7 t -72.56 135.99 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.479 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 40.8 m-80 -95.99 -49.23 5.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.815 -171.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.612 ' HG2' ' H ' ' A' ' 33' ' ' THR . 37.5 tttp -157.79 -177.04 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.839 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.612 ' H ' ' HG2' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -84.65 8.34 17.22 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -175.222 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.554 ' HA ' ' O ' ' A' ' 20' ' ' ILE . 24.6 m 70.72 -12.8 0.52 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.466 0.707 . . . . 0.0 112.827 178.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.451 ' HB3' ' HA ' ' A' ' 78' ' ' ARG . 69.8 m -84.15 67.06 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.349 0.595 . . . . 0.0 110.856 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.94 158.15 43.84 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.381 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.527 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 32.5 mm -101.66 128.92 53.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.253 0.549 . . . . 0.0 111.94 -174.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.648 ' HB2' HG12 ' A' ' 20' ' ' ILE . 46.9 t-80 -122.71 111.7 17.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.648 175.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.531 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.7 pt? -124.86 149.91 47.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.042 0.448 . . . . 0.0 110.372 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -103.04 146.0 29.03 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.109 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.44 ' HB3' ' CG1' ' A' ' 70' ' ' ILE . 73.4 t80 -145.81 103.81 3.8 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 172.404 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -111.91 161.03 16.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.047 0.451 . . . . 0.0 111.345 -175.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.608 HG21 HD21 ' A' ' 57' ' ' LEU . 3.6 mp -76.11 -42.61 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.099 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.7 ttt85 -59.67 -25.33 64.65 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.347 -171.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.17 -28.83 68.25 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.7 0.286 . . . . 0.0 110.956 175.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.0 t 65.6 -174.24 0.18 Allowed 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 123.662 0.785 . . . . 0.0 111.078 178.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.1 -43.94 1.47 Allowed Glycine 0 C--N 1.314 -0.656 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.232 -176.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.52 147.91 82.46 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.568 -0.316 . . . . 0.0 110.38 176.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.496 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 19.6 Cg_endo -62.32 159.16 36.7 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.677 2.252 . . . . 0.0 111.55 175.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.604 ' CD ' ' H ' ' A' ' 50' ' ' GLU . 3.6 mp0 -50.78 -46.31 59.47 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.302 0.376 . . . . 0.0 110.132 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -50.32 -42.0 52.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.391 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.407 ' CE2' HG21 ' A' ' 99' ' ' THR . 16.3 m-85 -82.83 -49.86 9.25 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 49' ' ' PRO . 55.2 pttt -70.69 -32.45 69.69 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -172.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -64.1 -35.27 80.22 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.59 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.493 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 8.8 mmt180 -62.58 -25.05 67.88 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 176.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.474 HD13 HG13 ' A' ' 43' ' ' ILE . 81.7 mt -71.02 -28.8 64.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.821 0.343 . . . . 0.0 111.124 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.608 HD21 HG21 ' A' ' 43' ' ' ILE . 3.4 mm? -90.3 -37.59 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.837 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.493 ' OG1' ' HA ' ' A' ' 55' ' ' ARG . 7.4 p -73.93 -45.61 49.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.685 -177.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.11 79.8 7.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.154 0.502 . . . . 0.0 110.457 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.7 m -68.96 89.37 0.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.733 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.51 165.3 22.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.168 176.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -73.53 -23.53 60.02 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 173.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.01 -23.46 67.46 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.742 174.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.499 HD13 HG22 ' A' ' 70' ' ' ILE . 24.2 mm -70.59 124.27 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 169.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.513 ' HB2' HD13 ' A' ' 71' ' ' ILE . 12.0 m -106.19 -77.54 0.59 Allowed 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -163.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -76.53 -71.08 0.41 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.016 0.436 . . . . 0.0 110.569 -172.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -143.84 -68.67 0.33 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.462 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -121.56 36.61 3.2 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.399 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 p -145.16 144.26 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.499 HG22 HD13 ' A' ' 64' ' ' ILE . 43.5 pt -100.51 133.97 41.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.063 0.459 . . . . 0.0 109.884 174.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.513 HD13 ' HB2' ' A' ' 65' ' ' SER . 1.7 mp -105.94 111.97 37.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 174.323 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.521 ' HB ' HD21 ' A' ' 39' ' ' LEU . 49.9 mm -98.87 116.4 41.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.541 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -101.68 102.95 13.71 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.685 0.755 . . . . 0.0 110.39 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.527 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -98.37 124.47 43.05 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.394 -175.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -153.34 102.11 2.58 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.121 -176.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -104.21 -67.27 0.91 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.737 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -178.46 85.14 0.02 OUTLIER 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.718 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.451 ' HA ' ' HB3' ' A' ' 35' ' ' SER . 62.5 ttt180 62.9 176.09 0.15 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.966 176.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.412 ' H ' ' HG2' ' A' ' 78' ' ' ARG . 16.2 m 69.67 111.13 0.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.541 0.686 . . . . 0.0 111.673 175.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -66.17 -26.82 67.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.043 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -58.87 -56.38 22.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.797 0.332 . . . . 0.0 111.856 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 pp -76.07 -36.04 59.16 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.258 0.551 . . . . 0.0 110.6 -174.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.514 ' HB3' HG12 ' A' ' 37' ' ' ILE . 33.1 m-20 -64.9 -34.47 78.47 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.286 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -66.91 -44.17 81.43 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.315 175.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.34 -41.42 97.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.61 -44.39 97.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.273 176.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.432 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . . . -58.24 -49.11 78.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.862 177.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.527 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 85.4 mt -59.65 -52.37 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.886 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.83 -38.72 79.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.689 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 94' ' ' VAL . 26.3 mmm180 -73.16 -35.95 66.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.758 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 2.6 pp -73.95 -36.05 64.59 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.365 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.569 HG12 ' HE2' ' A' ' 96' ' ' LYS . 58.7 t -68.72 -32.2 53.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 176.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.529 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . . . -58.65 -41.3 85.73 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.759 175.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 90' ' ' ARG . 16.8 t -58.51 -40.21 77.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.11 0.481 . . . . 0.0 110.41 176.156 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 92' ' ' VAL . 65.5 mt -58.86 -36.18 59.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.62 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.569 ' HE2' HG12 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -71.62 -36.71 70.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.936 176.597 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.95 ' HA ' ' HB2' ' A' ' 102' ' ' GLN . 41.8 mt-10 -63.39 -35.15 79.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.798 0.333 . . . . 0.0 111.685 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.476 ' O ' ' HD2' ' A' ' 55' ' ' ARG . 10.9 mp -79.41 -37.31 37.49 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -176.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.407 HG21 ' CE2' ' A' ' 52' ' ' TYR . 24.7 p -94.96 -33.69 12.66 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -175.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -99.62 168.2 10.09 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -79.31 54.16 1.64 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.33 0.586 . . . . 0.0 110.226 -178.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.95 ' HB2' ' HA ' ' A' ' 97' ' ' GLU . 84.0 mm-40 -97.82 102.06 13.72 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.623 0.725 . . . . 0.0 110.552 -178.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -91.75 128.01 37.42 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.266 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.2 m -66.61 142.13 57.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.602 0.239 . . . . 0.0 110.64 -178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.493 ' HD3' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -151.71 165.92 32.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.99 -176.289 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? 69.45 -83.64 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 O-C-N 124.092 0.87 . . . . 0.0 110.752 174.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 62.88 154.94 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.712 0.768 . . . . 0.0 113.007 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.9 m -148.53 135.51 20.05 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' A' ' 109' ' ' ARG . 11.8 ptm180 -151.73 103.12 2.87 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 121.215 0.531 . . . . 0.0 112.255 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -96.64 94.13 0.08 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 123.699 2.933 . . . . 0.0 111.759 171.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.3 m -93.96 82.18 4.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.955 0.407 . . . . 0.0 110.812 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -143.88 139.46 29.24 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.054 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -171.86 -175.84 1.6 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.666 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.8 t 69.52 89.49 0.1 Allowed 'General case' 0 CA--C 1.533 0.298 0 O-C-N 123.857 0.723 . . . . 0.0 112.808 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -145.24 102.98 3.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 172.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -177.01 141.35 0.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.225 -174.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -133.08 84.4 2.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.149 0.499 . . . . 0.0 110.172 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.0 ttm105 -96.49 127.88 42.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.732 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.6 pp -96.42 165.47 12.17 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.783 0.325 . . . . 0.0 111.018 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.4 m -126.38 103.65 7.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.409 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.0 p -83.3 164.68 19.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.73 178.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -109.8 104.54 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.515 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -112.49 34.48 4.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.262 0.553 . . . . 0.0 110.293 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -135.05 118.49 16.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.442 -0.799 . . . . 0.0 108.868 -178.79 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -118.26 104.33 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.421 -174.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.8 t -105.76 148.21 27.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.8 m -151.22 119.3 6.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.224 0.535 . . . . 0.0 111.554 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 13.4 p -130.19 142.02 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -81.33 134.81 35.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.49 0.662 . . . . 0.0 111.746 -174.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -141.59 96.98 3.07 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.003 175.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.74 -66.65 0.09 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.62 -174.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -94.69 142.03 27.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.84 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 154.32 33.35 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.543 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.431 ' O ' ' HD2' ' A' ' 136' ' ' ARG . 4.4 mppt? -114.07 35.78 3.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.028 0.442 . . . . 0.0 110.684 177.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 3.2 p -87.91 104.01 14.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.518 0.675 . . . . 0.0 110.217 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' A' ' 134' ' ' LYS . 6.2 mpt_? -94.34 104.04 16.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.515 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -155.0 77.83 4.95 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-O 120.997 0.427 . . . . 0.0 110.368 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -85.82 129.59 3.53 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.353 2.702 . . . . 0.0 111.405 176.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' A' ' 141' ' ' LEU . 0.9 OUTLIER -77.86 90.23 4.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.325 0.584 . . . . 0.0 109.747 -179.456 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -77.91 76.83 4.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.888 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.555 ' HB2' HD22 ' A' ' 139' ' ' LEU . 4.9 tt -83.79 97.15 9.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.537 -170.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 141' ' ' LEU . 24.9 tt0 176.39 144.72 0.08 Allowed 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.961 0.788 . . . . 0.0 110.016 172.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -120.98 58.66 0.95 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.862 0.839 . . . . 0.0 109.27 173.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -82.78 83.54 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.225 -176.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -148.46 159.67 43.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.63 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -174.83 138.51 0.48 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -93.82 144.97 24.95 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -176.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 15.2 p80 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.614 -0.708 . . . . 0.0 109.679 178.413 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.612 ' HA ' ' HB2' ' A' ' 12' ' ' ASP . 26.6 ttt . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.587 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 43.6 mm -87.63 96.22 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.3 107.02 19.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.083 0.468 . . . . 0.0 110.334 179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 5' ' ' SER . 27.3 mm -92.98 164.87 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.437 ' N ' HG22 ' A' ' 4' ' ' ILE . 8.0 p -65.32 158.52 26.23 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 174.453 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.433 ' HG2' ' H ' ' A' ' 7' ' ' THR . 15.1 ttm180 67.91 -164.5 0.2 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -177.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.433 ' H ' ' HG2' ' A' ' 6' ' ' ARG . 12.4 t -83.81 26.94 0.67 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.265 0.555 . . . . 0.0 111.785 -174.492 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.7 t -105.59 124.63 60.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 O-C-N 121.997 -0.439 . . . . 0.0 111.109 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 m -141.67 155.04 45.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.185 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.587 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 58.3 mt -135.53 149.17 28.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.501 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -63.43 145.66 55.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 110.857 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.612 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 22.4 t70 -65.19 -45.64 83.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.86 -173.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -79.61 0.29 30.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.564 -173.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.501 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 27.5 mm-40 -81.0 -11.76 59.5 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -174.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.9 mt -74.52 157.68 35.08 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 176.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.761 ' HB2' ' HB3' ' A' ' 40' ' ' ARG . 38.9 mt-10 -87.92 97.49 10.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.7 mm -90.36 125.82 43.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.056 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.525 ' O ' ' HB3' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -128.42 148.67 50.72 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.054 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.51 136.32 32.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.242 177.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 55.5 mt -75.26 127.27 36.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.219 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 7.4 ptp180 -62.84 137.88 58.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.898 176.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . 73.27 113.55 0.06 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 124.147 0.904 . . . . 0.0 109.836 -172.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.567 ' HB2' ' O ' ' A' ' 31' ' ' ASN . 23.8 mp0 -65.68 108.33 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.373 -172.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.05 -71.66 2.35 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.283 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.92 154.57 40.54 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.26 -25.04 9.1 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.931 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.8 61.27 4.71 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.215 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.581 ' HG3' ' H ' ' A' ' 29' ' ' HIS . 44.3 tp60 68.85 175.08 0.28 Allowed 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.212 0.605 . . . . 0.0 110.221 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.581 ' H ' ' HG3' ' A' ' 28' ' ' GLN . 2.0 m-70 64.15 19.56 11.82 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.64 -173.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.93 135.59 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.775 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.567 ' O ' ' HB2' ' A' ' 23' ' ' GLN . 23.0 t-20 -102.09 165.37 11.19 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -178.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.553 ' HE2' ' C ' ' A' ' 31' ' ' ASN . 0.5 OUTLIER -101.89 -18.62 15.63 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.621 0.724 . . . . 0.0 109.085 171.006 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.2 m -98.82 106.02 18.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.769 177.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.446 ' HB2' ' CG ' ' A' ' 23' ' ' GLN . 9.3 t -110.01 146.71 34.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.093 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.58 32.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.328 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.65 141.04 30.9 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.573 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 39.8 mm -98.76 114.7 37.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 CA-C-O 121.699 0.762 . . . . 0.0 111.246 -174.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.525 ' HB3' ' O ' ' A' ' 18' ' ' THR . 54.0 t-80 -113.73 102.74 10.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.089 174.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.71 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.5 pt? -105.64 147.88 27.98 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.389 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.761 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 30.6 ttt180 -118.24 111.68 19.11 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.98 -176.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.477 ' HB3' ' CG1' ' A' ' 70' ' ' ILE . 65.2 t80 -114.45 113.76 24.91 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -106.16 145.88 30.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.089 -174.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.709 HG13 HD13 ' A' ' 56' ' ' LEU . 1.7 mp -71.82 -44.17 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.994 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 44' ' ' ARG . 21.4 ttt180 -68.38 -18.82 64.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.999 -176.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.11 -19.88 63.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.617 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t 66.06 174.7 0.23 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.981 0.896 . . . . 0.0 111.904 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.51 -43.09 1.3 Allowed Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.467 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.59 HD12 HD11 ' A' ' 56' ' ' LEU . 84.4 mt -76.82 154.4 83.19 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.718 0.294 . . . . 0.0 111.363 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -62.8 166.59 13.59 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.248 2.632 . . . . 0.0 112.419 175.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 68.5 mm-40 -57.75 -52.98 63.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.27 -174.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.42 -41.81 90.4 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -175.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.648 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 98.6 m-85 -69.35 -37.6 77.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.761 0.315 . . . . 0.0 110.373 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.521 ' HA ' HD12 ' A' ' 56' ' ' LEU . 34.3 ttpt -63.68 -40.84 97.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.605 176.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 98.0 mt-30 -57.05 -50.14 73.66 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.756 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -59.99 -36.25 76.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.398 -177.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.709 HD13 HG13 ' A' ' 43' ' ' ILE . 93.9 mt -56.78 -34.65 67.84 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -174.001 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.504 HD21 HG21 ' A' ' 43' ' ' ILE . 3.2 mm? -89.68 -31.77 17.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.847 0.356 . . . . 0.0 111.321 -178.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.8 p -82.54 -39.06 22.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -174.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.434 ' HB3' HD23 ' A' ' 98' ' ' LEU . . . -81.97 112.05 18.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.308 0.575 . . . . 0.0 111.237 -174.161 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.5 p -80.28 70.1 6.86 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.994 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -96.93 130.1 44.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -71.94 71.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.954 0.883 . . . . 0.0 112.514 -173.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.547 HD13 HG22 ' A' ' 94' ' ' VAL . 72.7 mt -146.36 -30.97 0.37 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 113.59 -1.641 . . . . 0.0 108.909 174.06 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.581 ' HA ' HG22 ' A' ' 70' ' ' ILE . 18.2 mm -61.37 136.75 24.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 170.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 m -72.43 -59.54 2.68 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.907 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -169.79 -63.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.761 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -72.21 -80.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.971 0.415 . . . . 0.0 111.269 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -156.83 37.34 0.57 Allowed Glycine 0 C--N 1.316 -0.532 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.866 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.9 148.17 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.581 HG22 ' HA ' ' A' ' 64' ' ' ILE . 31.0 pt -110.61 135.13 50.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.026 0.441 . . . . 0.0 110.505 174.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mp -114.97 121.82 67.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.987 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.71 ' HB ' HD21 ' A' ' 39' ' ' LEU . 3.5 mp -112.88 123.9 69.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.08 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -99.76 108.12 20.36 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.475 0.655 . . . . 0.0 110.395 173.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.46 124.7 50.62 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.629 -1.169 . . . . 0.0 110.065 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -157.6 104.94 2.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.223 0.535 . . . . 0.0 111.859 -176.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.694 ' HB2' HD11 ' A' ' 82' ' ' LEU . 2.8 tm-20 -87.25 -66.48 0.91 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 165.057 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -168.99 -85.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.268 169.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.46 -6.49 10.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.68 0.276 . . . . 0.0 111.695 -175.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -75.64 81.59 2.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.168 0.509 . . . . 0.0 109.867 175.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.21 -32.63 64.6 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.382 -177.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.12 -54.96 38.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.208 -176.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 76' ' ' GLU . 1.6 pp -69.41 -32.75 71.94 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.208 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -59.47 -40.73 87.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.146 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.462 ' O ' HG13 ' A' ' 88' ' ' ILE . 57.1 mtm180 -75.7 -44.69 40.88 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.962 177.681 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -57.31 -45.4 84.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.657 0.265 . . . . 0.0 111.464 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.5 84.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.49 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.98 78.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.546 177.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.589 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.7 mt -61.23 -49.78 83.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.352 177.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.45 -40.36 78.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.878 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.65 HH11 HG23 ' A' ' 72' ' ' ILE . 42.3 ttm180 -67.01 -42.74 84.46 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.026 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 2.9 pp -69.08 -36.95 78.17 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.356 -178.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.555 ' HA ' HD12 ' A' ' 95' ' ' ILE . 98.8 t -63.69 -38.28 81.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 174.262 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.548 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -62.2 -42.6 99.44 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.411 175.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 90' ' ' ARG . 69.7 t -55.47 -43.23 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 92' ' ' VAL . 60.1 mt -57.8 -36.24 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.218 177.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -79.91 -41.17 26.65 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.754 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 17.4 mm-40 -50.37 -42.17 52.95 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -174.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.595 HD22 HD23 ' A' ' 56' ' ' LEU . 9.1 mp -87.91 -8.49 55.7 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.946 -172.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.2 m -118.59 -48.55 2.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.066 0.46 . . . . 0.0 111.249 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -101.89 120.12 39.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.937 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.18 103.83 1.06 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.628 -176.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -146.05 -53.9 0.26 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.216 174.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.416 ' HA ' ' OE1' ' A' ' 97' ' ' GLU . 48.3 mtmt 68.98 100.5 0.06 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.708 0.766 . . . . 0.0 111.834 173.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.404 ' H ' ' CD ' ' A' ' 97' ' ' GLU . 13.1 m -123.07 95.19 4.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.732 -177.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -104.54 94.33 5.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.322 0.582 . . . . 0.0 110.813 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -135.01 96.88 3.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.722 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.06 167.4 12.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.569 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.5 t -132.36 128.7 38.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.069 0.461 . . . . 0.0 110.178 178.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -137.68 82.7 26.39 Favored Pre-proline 0 C--O 1.234 0.279 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.002 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -82.28 150.33 15.38 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 123.086 2.524 . . . . 0.0 112.063 177.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 13.0 p -125.54 -1.93 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.178 0.513 . . . . 0.0 111.226 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -87.42 56.68 4.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.175 -177.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -147.39 97.73 2.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.572 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.5 t -158.29 142.27 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -135.19 143.44 46.44 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -104.4 119.35 38.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.825 0.345 . . . . 0.0 111.393 -176.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -148.48 118.53 7.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.814 174.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -159.44 133.3 7.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.948 176.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 pp -164.04 142.37 7.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.573 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.6 t 179.77 123.94 0.07 Allowed 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.236 178.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.3 p -161.23 118.62 2.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.558 0.218 . . . . 0.0 111.327 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -177.37 107.68 0.06 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.752 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -119.62 154.04 34.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.812 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -163.92 116.87 1.43 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.98 0.419 . . . . 0.0 110.56 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -128.82 146.56 50.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.143 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 62.5 m -154.88 93.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.074 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 45.2 m -142.57 136.97 29.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 4.2 p -134.19 108.75 11.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.41 0.624 . . . . 0.0 109.952 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -130.7 133.3 45.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.023 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -144.74 95.63 2.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.622 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -103.93 98.93 8.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.276 -175.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -106.99 128.06 54.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.497 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -165.49 109.78 0.38 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.812 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 149.6 22.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.94 0.4 . . . . 0.0 110.241 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.29 131.67 41.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.371 -176.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -121.41 141.13 51.28 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 173.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -153.53 102.64 2.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.865 -172.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -95.9 165.65 1.34 Allowed 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.419 2.746 . . . . 0.0 111.886 172.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 57.1 tp -156.21 127.38 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.335 -0.228 . . . . 0.0 111.242 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -160.13 137.25 9.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' LEU . . . . . 0.662 ' H ' HD23 ' A' ' 141' ' ' LEU . 2.5 pt? -119.64 172.6 7.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.676 0.274 . . . . 0.0 110.678 -176.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.68 144.35 43.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.876 0.37 . . . . 0.0 110.504 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -171.03 128.42 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.878 0.371 . . . . 0.0 110.576 177.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -154.73 156.76 36.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -81.24 120.79 25.34 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -66.23 142.94 57.53 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -83.89 -45.56 13.08 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 28.9 p80 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.253 176.311 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.519 ' HA ' ' HB2' ' A' ' 12' ' ' ASP . 23.7 ttt . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.729 HD11 HD11 ' A' ' 15' ' ' LEU . 48.3 mm -99.95 115.79 41.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.6 0.238 . . . . 0.0 110.793 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.46 121.73 45.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.55 177.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 5' ' ' SER . 28.0 mm -107.02 165.38 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 1.3 p -59.77 151.23 25.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 174.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.536 ' HB2' ' O ' ' A' ' 5' ' ' SER . 12.2 mpt_? 70.73 -172.84 0.17 Allowed 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.647 0.592 . . . . 0.0 109.727 -168.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 t -86.89 47.94 1.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.911 0.862 . . . . 0.0 110.403 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.7 t -111.96 113.15 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.562 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 m -123.51 153.92 39.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.021 0.438 . . . . 0.0 110.409 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.588 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 72.0 mt -131.47 137.81 54.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.527 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -61.47 148.79 40.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.259 0.552 . . . . 0.0 111.527 -175.681 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.519 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 28.5 t70 -68.28 -29.77 68.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.357 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -83.49 -13.31 54.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.022 -179.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.527 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 21.4 mt-10 -73.97 -8.84 57.62 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.711 0.291 . . . . 0.0 111.42 -179.045 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.729 HD11 HD11 ' A' ' 2' ' ' ILE . 98.4 mt -78.0 129.23 35.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.717 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -89.23 109.63 20.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.4 0.619 . . . . 0.0 110.382 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.4 mm -102.01 123.29 55.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.531 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.85 149.85 34.44 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.77 140.73 29.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.952 0.406 . . . . 0.0 110.504 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.467 HD11 ' HB2' ' A' ' 38' ' ' HIS . 39.7 mm -74.46 127.59 36.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.918 177.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -144.83 103.5 3.91 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.22 -58.72 3.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.254 -168.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -155.61 175.48 13.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.02 0.438 . . . . 0.0 111.63 -173.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.91 126.86 9.06 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 173.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HB3' ' HA ' ' A' ' 28' ' ' GLN . . . -97.48 160.33 14.39 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.713 0.257 . . . . 0.0 110.94 -174.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.64 -46.88 29.41 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.954 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.52 26.77 4.84 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.076 -0.809 . . . . 0.0 111.076 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.512 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 98.8 mt-30 64.89 -178.93 0.18 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.18 0.592 . . . . 0.0 111.432 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 44.62 93.67 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.299 1.04 . . . . 0.0 113.592 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -129.73 -56.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.777 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -111.61 171.15 7.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.485 171.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -64.31 157.03 27.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.55 0.214 . . . . 0.0 111.226 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 t -64.5 108.14 1.57 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.968 0.89 . . . . 0.0 110.326 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.4 p -77.26 88.58 3.69 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.141 -176.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 m -106.0 25.58 10.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.612 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.35 174.38 10.28 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.613 -178.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.579 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 49.5 mm -101.18 117.7 46.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.915 -175.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.467 ' HB2' HD11 ' A' ' 20' ' ' ILE . 14.5 t-80 -114.56 105.57 13.24 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.138 0.494 . . . . 0.0 109.771 174.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.587 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.0 pt? -106.15 150.06 26.2 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.397 -177.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -124.62 107.64 11.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.469 0.652 . . . . 0.0 110.041 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -97.62 104.44 16.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.895 -177.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' A' ' 69' ' ' VAL . 28.3 t0 -105.18 126.84 52.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -177.257 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.701 HG21 ' HG3' ' A' ' 53' ' ' LYS . 56.9 mt -56.54 -43.31 77.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.436 177.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -65.32 -14.66 61.29 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.014 -174.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.24 -14.62 58.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 0.0 111.7 -177.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 t -135.84 -170.01 2.53 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -123.61 69.98 0.45 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.915 -0.659 . . . . 0.0 111.95 -179.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.4 mt -75.23 153.85 86.24 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.409 ' HB2' ' HD1' ' A' ' 52' ' ' TYR . 50.8 Cg_exo -55.43 141.98 81.18 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.499 2.132 . . . . 0.0 112.117 178.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.592 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 6.9 tp10 -52.55 -41.19 63.31 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.737 -174.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -54.18 -44.68 71.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.551 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.409 ' HD1' ' HB2' ' A' ' 49' ' ' PRO . 62.0 m-85 -66.49 -42.4 87.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.082 -177.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.701 ' HG3' HG21 ' A' ' 43' ' ' ILE . 27.0 ttpt -62.54 -38.02 88.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.342 -178.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 33.4 mm-40 -55.84 -49.96 71.87 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.784 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 55' ' ' ARG . 23.8 mmt180 -67.32 -39.51 85.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.38 -28.4 67.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.606 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.2 mt -82.72 -29.32 29.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.62 0.248 . . . . 0.0 111.651 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.6 p -84.96 -43.29 14.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.13 122.62 16.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.128 0.49 . . . . 0.0 111.59 -177.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.2 m -89.32 52.83 2.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.64 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -84.5 126.85 33.66 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -54.57 -27.95 42.58 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -173.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 71.4 mt -57.74 -26.01 61.22 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.496 HD13 HG12 ' A' ' 70' ' ' ILE . 42.3 mm -73.46 129.59 36.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 175.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.755 ' HB3' HG13 ' A' ' 69' ' ' VAL . 32.4 t -84.87 -51.04 7.03 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -170.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -149.76 -83.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.389 -175.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.84 -84.88 0.11 Allowed 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.331 0.586 . . . . 0.0 110.396 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.457 ' O ' HG13 ' A' ' 43' ' ' ILE . . . -137.32 36.22 1.98 Allowed Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.521 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.755 HG13 ' HB3' ' A' ' 65' ' ' SER . 7.1 p -111.08 141.95 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.496 HG12 HD13 ' A' ' 64' ' ' ILE . 52.3 mt -109.79 124.05 66.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.845 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.524 HD13 ' HB2' ' A' ' 65' ' ' SER . 1.4 mp -103.2 115.39 45.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.584 0.707 . . . . 0.0 110.195 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.412 ' HB ' HD21 ' A' ' 39' ' ' LEU . 44.6 mm -122.23 128.12 75.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.051 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -98.16 122.7 41.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.323 0.582 . . . . 0.0 110.526 171.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.579 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -106.05 122.18 45.64 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.559 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -156.48 104.0 2.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.597 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -93.1 -67.52 0.85 Allowed 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 173.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 73.6 t80 175.93 -36.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.003 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -152.66 166.94 30.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.245 -177.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.427 ' HB2' HD23 ' A' ' 82' ' ' LEU . 50.3 m 60.47 88.95 0.07 Allowed 'General case' 0 C--O 1.233 0.232 0 O-C-N 124.031 0.832 . . . . 0.0 112.008 176.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.501 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 0.8 OUTLIER -60.39 -28.71 68.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.863 -178.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -50.79 -53.85 28.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.282 176.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.427 HD23 ' HB2' ' A' ' 79' ' ' SER . 2.5 pp -73.64 -27.83 61.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.067 0.461 . . . . 0.0 110.182 -176.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.462 ' OD1' ' HA ' ' A' ' 80' ' ' GLN . 10.8 m120 -60.49 -39.44 87.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.16 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 38.3 mtm180 -64.41 -49.61 70.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.354 178.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -54.74 -43.93 73.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.221 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 90' ' ' ARG . . . -63.64 -44.12 94.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.129 178.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . . . -59.86 -44.84 93.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.349 178.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.429 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 88.4 mt -60.15 -51.11 76.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.533 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.11 75.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.391 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 86' ' ' ALA . 17.7 mmm-85 -67.78 -48.73 65.52 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.705 178.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.443 ' O ' HG13 ' A' ' 95' ' ' ILE . 3.0 pp -66.57 -39.84 88.67 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.094 -175.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.3 t -64.69 -38.17 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.906 0.384 . . . . 0.0 110.099 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.644 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -61.81 -43.76 98.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.579 177.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 90' ' ' ARG . 90.1 t -59.06 -42.28 85.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.851 0.358 . . . . 0.0 110.59 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 91' ' ' LEU . 79.5 mt -58.09 -41.65 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.263 176.426 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -73.27 -24.67 60.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.622 -179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.644 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 32.7 mm-40 -66.23 -43.15 87.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.111 0.481 . . . . 0.0 109.725 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.3 mp -75.84 -30.22 58.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.616 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 40.3 p -105.33 25.8 10.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 0.0 111.331 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -74.37 111.58 9.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.615 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -80.34 89.75 5.55 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.312 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -138.91 163.83 31.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.273 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -128.05 113.11 15.37 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.271 0.558 . . . . 0.0 111.088 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 p -81.43 -17.36 49.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.021 176.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -131.33 151.48 51.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.983 176.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -70.51 103.93 2.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.625 0.726 . . . . 0.0 110.917 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -108.12 15.42 24.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.1 -176.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.7 t 42.95 80.42 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 O-C-N 124.37 1.044 . . . . 0.0 112.54 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -130.78 102.76 16.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.56 -177.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -87.38 33.59 0.42 Allowed 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 123.532 2.821 . . . . 0.0 112.726 -178.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.7 p -87.79 130.85 34.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.456 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -141.37 -61.45 0.47 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.067 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 64.24 97.3 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.991 0.807 . . . . 0.0 112.589 178.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.3 t -112.33 125.21 53.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.553 175.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.5 tptt -106.49 130.46 54.28 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -145.65 119.55 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.438 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -161.98 134.64 5.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.062 173.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -141.51 158.42 43.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.068 177.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 119' ' ' LEU . 1.7 pt? -156.78 93.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.552 0.691 . . . . 0.0 110.526 178.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.6 m -81.39 79.37 8.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.131 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.4 p -109.19 131.37 55.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.87 -178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -174.99 121.91 0.22 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -143.16 95.21 2.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.949 0.404 . . . . 0.0 111.552 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -170.36 88.91 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.572 173.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -136.56 90.5 2.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.554 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 62.1 m -93.58 103.46 15.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.806 176.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 24.7 t -99.07 111.36 23.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.237 -179.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.9 m -77.85 157.08 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.146 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -133.95 122.17 22.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.549 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -95.24 139.89 30.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.437 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.5 mp -89.65 107.79 19.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.226 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 132' ' ' ARG . 49.3 mtt180 -87.1 94.62 9.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.211 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.74 133.76 1.81 Allowed Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.696 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -120.03 173.14 7.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.13 0.491 . . . . 0.0 110.987 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.3 m -101.35 -170.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.371 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.545 ' HD2' ' H ' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -112.11 -177.56 3.2 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.658 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -87.09 106.15 10.22 Favored Pre-proline 0 C--N 1.326 -0.416 0 C-N-CA 120.736 -0.386 . . . . 0.0 109.98 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.495 ' HD3' ' O ' ' A' ' 136' ' ' ARG . 72.1 Cg_endo -77.21 123.11 6.46 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.502 2.135 . . . . 0.0 112.346 -175.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.15 74.86 8.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.22 0.533 . . . . 0.0 109.989 177.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -99.37 109.26 21.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.6 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 58.5 tp -82.74 123.22 29.1 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.834 -172.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -85.69 123.59 31.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.293 172.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -109.04 137.28 47.19 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.481 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -74.17 145.1 44.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.647 -178.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -166.52 132.34 2.34 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.778 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -150.51 109.03 3.8 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -161.23 135.66 7.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.476 -177.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 119.08 -0.486 . . . . 0.0 109.993 175.766 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.461 ' SD ' ' HA ' ' A' ' 11' ' ' ALA . 14.0 tpt . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.9 mp -106.63 109.67 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.0 0.429 . . . . 0.0 109.997 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.33 108.61 20.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.794 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.693 ' HB ' HG13 ' A' ' 8' ' ' VAL . 35.8 mm -93.98 160.64 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -178.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.492 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 14.2 m -62.96 155.53 27.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 176.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.492 ' HB2' ' O ' ' A' ' 5' ' ' SER . 37.1 mmt180 73.02 -164.49 0.11 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.481 0.488 . . . . 0.0 110.61 -175.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.2 t -89.68 37.25 0.87 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -173.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.693 HG13 ' HB ' ' A' ' 4' ' ' ILE . 8.6 p -122.59 129.49 75.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.509 0.671 . . . . 0.0 111.563 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m -128.61 149.26 50.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.539 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.418 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 68.5 mt -124.92 128.79 73.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.836 0.351 . . . . 0.0 110.561 -178.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.461 ' HA ' ' SD ' ' A' ' 1' ' ' MET . . . -66.64 151.28 47.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.56 -178.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.34 -34.67 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.255 -172.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -87.49 3.1 48.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.08 0.467 . . . . 0.0 111.347 -174.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.449 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 5.5 mm-40 -90.32 -19.55 23.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -175.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.4 mt -85.5 163.26 18.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.052 0.453 . . . . 0.0 111.106 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -89.15 98.05 11.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.916 175.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.1 mm -101.84 112.55 35.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.126 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.37 150.37 37.85 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.462 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.22 114.76 27.32 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 173.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.564 HD12 ' HB3' ' A' ' 36' ' ' ALA . 46.8 mt -55.47 118.26 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.217 0.532 . . . . 0.0 110.591 -176.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.36 -62.67 1.48 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.878 -176.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.88 -170.63 0.14 Allowed 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.734 0.646 . . . . 0.0 111.34 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -96.33 70.84 2.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.385 0.612 . . . . 0.0 109.589 176.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.32 51.23 3.67 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.648 -0.706 . . . . 0.0 112.295 -178.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.28 149.32 34.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.542 0.21 . . . . 0.0 110.502 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.2 149.9 11.7 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.262 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -83.75 67.79 3.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.08 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.481 ' HG2' ' H ' ' A' ' 29' ' ' HIS . 45.0 tt0 -114.84 176.22 5.15 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -178.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.481 ' H ' ' HG2' ' A' ' 28' ' ' GLN . 56.2 t60 -104.97 23.25 13.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.573 0.702 . . . . 0.0 110.551 -173.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -57.18 -67.46 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.194 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 62.5 174.09 0.14 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.956 175.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 65.76 176.38 0.22 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.807 175.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 m 57.93 26.82 13.83 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.597 0.713 . . . . 0.0 110.745 177.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.4 m -94.62 103.03 14.97 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.282 -177.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.478 ' HB2' ' HB3' ' A' ' 113' ' ' ALA . 42.1 m 68.57 86.48 0.13 Allowed 'General case' 0 C--O 1.232 0.164 0 O-C-N 123.977 0.798 . . . . 0.0 110.656 -176.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.564 ' HB3' HD12 ' A' ' 20' ' ' ILE . . . -136.46 179.36 6.41 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.674 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.608 HD11 ' HB3' ' A' ' 80' ' ' GLN . 45.4 mm -100.21 119.72 48.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.57 0.7 . . . . 0.0 111.515 -176.081 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.503 ' HB2' HG12 ' A' ' 20' ' ' ILE . 22.0 t-80 -109.97 114.69 28.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.895 175.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.459 HD21 ' HB1' ' A' ' 87' ' ' ALA . 2.1 pt? -128.44 144.82 51.2 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -121.19 121.06 36.97 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.327 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.51 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 4.3 t80 -96.66 101.45 13.06 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.424 ' HA ' HG23 ' A' ' 69' ' ' VAL . 24.2 t70 -101.6 142.0 33.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.141 -168.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.559 HG21 ' HE3' ' A' ' 53' ' ' LYS . 1.8 mp -78.83 -42.83 24.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.853 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.2 ttm-85 -63.45 -31.75 73.0 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.697 0.284 . . . . 0.0 110.99 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.31 -22.83 54.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.831 173.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.0 p 62.24 154.16 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.268 1.427 . . . . 0.0 113.508 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.28 -38.41 0.96 Allowed Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.673 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.466 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 90.7 mt -75.57 144.42 77.29 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.44 -0.38 . . . . 0.0 110.512 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 23.9 Cg_exo -65.15 158.01 54.38 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.856 2.371 . . . . 0.0 111.788 176.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.34 -36.69 66.55 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.223 -176.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -59.07 -53.0 63.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.429 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 85.7 m-85 -68.07 -35.37 78.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.852 -178.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.559 ' HE3' HG21 ' A' ' 43' ' ' ILE . 1.2 tmtp? -58.24 -50.51 73.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.931 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -63.35 -41.67 98.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 55' ' ' ARG . 10.9 mmt180 -58.74 -44.38 90.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.901 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.606 HD23 HD22 ' A' ' 98' ' ' LEU . 96.0 mt -63.38 -35.32 80.03 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.01 0.433 . . . . 0.0 111.29 -177.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.98 -14.73 57.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.298 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.6 m -92.79 -52.08 4.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.754 0.311 . . . . 0.0 111.428 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.44 117.03 17.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.89 0.376 . . . . 0.0 111.335 -176.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.8 t -77.55 75.08 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.419 0.628 . . . . 0.0 110.134 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -93.39 128.81 39.61 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -73.75 21.3 0.09 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -169.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.1 mt -97.92 -13.05 21.41 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.304 0.573 . . . . 0.0 109.78 172.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.409 ' CD1' HG12 ' A' ' 70' ' ' ILE . 39.1 mm -78.02 130.32 36.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 173.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.9 p -82.32 -83.55 0.13 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.866 0.365 . . . . 0.0 111.659 -174.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -146.56 -47.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.202 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.434 ' HB2' HG12 ' A' ' 69' ' ' VAL . 5.6 m-20 -74.88 15.98 0.34 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -177.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.448 ' O ' HD13 ' A' ' 43' ' ' ILE . . . 71.52 19.63 77.88 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.431 -175.296 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.434 HG12 ' HB2' ' A' ' 67' ' ' ASP . 2.7 p -106.0 143.87 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.51 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 22.8 mt -86.58 117.14 30.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.147 -178.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mp -103.79 119.38 52.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.278 0.561 . . . . 0.0 110.11 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.9 mp -108.3 116.76 52.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.701 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -94.25 104.17 16.17 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.441 0.638 . . . . 0.0 109.597 173.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.575 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -102.29 123.16 45.62 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.829 -174.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.428 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . 8.6 pt20 -164.13 104.84 0.88 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.136 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.632 ' HG3' ' HB2' ' A' ' 109' ' ' ARG . 28.8 tt0 -121.07 -79.23 0.6 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.754 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -161.57 105.25 1.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.545 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 69.66 151.44 0.09 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 172.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.558 ' HB3' HD23 ' A' ' 82' ' ' LEU . 45.1 t 65.71 111.03 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.22 -0.9 . . . . 0.0 113.14 172.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.608 ' HB3' HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -58.34 -34.93 71.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.718 172.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -60.57 -54.95 39.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.402 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.558 HD23 ' HB3' ' A' ' 79' ' ' SER . 0.9 OUTLIER -71.1 -31.97 68.46 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.399 -176.128 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.92 -32.75 74.22 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -64.49 -51.48 62.78 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.228 0.537 . . . . 0.0 109.891 175.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.92 -38.55 79.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.688 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.642 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -64.17 -40.84 96.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.487 175.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.509 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . . . -60.26 -40.9 91.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.569 175.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.516 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 84.2 mt -60.31 -50.22 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.755 175.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.98 -39.54 74.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.642 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 10.5 mpt_? -60.29 -53.78 53.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.269 176.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 4.0 pp -68.21 -36.72 79.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.549 0.214 . . . . 0.0 111.382 -174.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 88' ' ' ILE . 54.3 t -59.98 -41.42 86.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.583 177.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.56 -43.92 88.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.772 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 90' ' ' ARG . 98.8 t -61.69 -41.57 90.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.119 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 91' ' ' LEU . 88.3 mt -58.48 -39.84 76.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.31 0.576 . . . . 0.0 110.39 176.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.583 ' HB3' ' HD2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -72.61 -19.41 61.47 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.374 177.399 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.547 ' HG2' ' H ' ' A' ' 103' ' ' LYS . 41.7 mt-10 -65.7 -32.44 74.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.148 0.499 . . . . 0.0 110.617 175.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.606 HD22 HD23 ' A' ' 56' ' ' LEU . 10.3 mp -89.85 -8.32 52.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.725 -176.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.45 ' OG1' ' HA ' ' A' ' 96' ' ' LYS . 2.7 p -114.75 -53.96 2.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.991 0.425 . . . . 0.0 110.998 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.36 169.58 10.12 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 175.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -74.58 84.12 2.05 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -177.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 45.33 111.37 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 169.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.583 ' HD2' ' HB3' ' A' ' 96' ' ' LYS . 64.5 mttm -124.02 121.07 34.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.506 176.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.2 p -152.71 150.99 30.01 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -126.03 148.14 49.38 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 174.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.13 49.52 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 111.004 -175.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.51 124.94 34.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.171 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.6 m -124.6 110.39 14.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.086 0.469 . . . . 0.0 112.163 -175.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.632 ' HB2' ' HG3' ' A' ' 76' ' ' GLU . 6.0 mpt_? -125.74 123.75 24.8 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.836 173.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 109' ' ' ARG . 11.3 Cg_endo -89.51 105.82 0.39 Allowed 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.859 2.373 . . . . 0.0 112.017 176.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.54 ' HB ' ' O ' ' A' ' 76' ' ' GLU . 14.1 t -97.91 158.36 15.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.03 0.443 . . . . 0.0 110.564 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.21 144.56 23.19 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 174.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.478 ' HB3' ' HB2' ' A' ' 35' ' ' SER . . . -128.17 99.05 5.31 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.051 0.453 . . . . 0.0 110.906 178.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.6 m -104.9 104.5 14.28 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 176.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.437 ' O ' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -128.43 153.38 47.16 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.001 0.429 . . . . 0.0 111.386 -177.311 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -129.7 29.46 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.449 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -70.27 120.84 16.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.562 0.696 . . . . 0.0 111.6 -173.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -157.03 122.33 4.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.404 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.1 tp -134.48 124.01 24.9 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.279 -175.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.2 t -155.28 94.53 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.874 174.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.8 t -171.05 104.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.478 -175.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -131.74 132.34 43.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.939 176.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -148.2 137.81 22.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.762 0.315 . . . . 0.0 110.867 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -136.74 124.75 22.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.141 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -128.49 128.68 44.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.712 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.3 m -140.06 -165.07 1.82 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.429 -173.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.6 m 69.93 97.04 0.06 Allowed 'General case' 0 C--O 1.231 0.081 0 O-C-N 124.036 0.835 . . . . 0.0 111.499 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.57 133.76 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.638 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -145.54 122.97 11.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.239 0.542 . . . . 0.0 111.439 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -167.63 97.2 0.47 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.019 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.1 pp -124.51 163.13 22.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.817 -177.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -172.16 168.95 5.63 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.234 0.334 . . . . 0.0 110.229 178.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.59 155.51 26.52 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -151.43 125.02 8.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.001 0.429 . . . . 0.0 111.301 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 3.0 m -144.24 137.14 23.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.44 175.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -162.36 137.02 6.78 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -113.07 103.89 55.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.882 0.372 . . . . 0.0 111.327 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -89.81 179.9 2.0 Allowed 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 123.64 2.893 . . . . 0.0 110.869 171.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 57.1 tp -161.77 117.97 2.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.056 0.455 . . . . 0.0 111.329 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -112.67 130.48 56.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.625 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.7 tt -166.6 101.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.93 113.63 5.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 178.37 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -137.82 88.67 2.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.179 0.514 . . . . 0.0 110.948 176.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -113.98 115.87 28.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.43 174.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -131.88 131.62 42.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.904 -173.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -134.37 96.84 3.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.966 176.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -83.81 88.22 7.1 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.819 0.343 . . . . 0.0 110.139 178.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 . . . . . 0 C--O 1.247 0.947 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.82 -178.33 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.475 ' SD ' ' HA ' ' A' ' 11' ' ' ALA . 14.2 tpt . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.437 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.9 mp -112.34 106.55 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.028 0.442 . . . . 0.0 110.431 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 9' ' ' SER . . . -94.14 119.54 33.12 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.231 176.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.462 HG23 HD13 ' A' ' 95' ' ' ILE . 17.3 mm -83.67 165.67 2.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.408 ' N ' HG22 ' A' ' 4' ' ' ILE . 2.6 p -61.21 152.25 29.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.769 0.319 . . . . 0.0 111.011 178.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.491 ' O ' HG22 ' A' ' 7' ' ' THR . 68.9 mtt180 71.23 34.85 1.69 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.883 -178.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 6' ' ' ARG . 3.3 t 56.56 20.83 5.19 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.65 1.18 . . . . 0.0 113.241 172.336 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.3 t -92.37 104.47 15.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 3' ' ' ALA . 14.2 m -100.15 154.78 18.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.236 0.541 . . . . 0.0 112.003 -174.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.401 HD11 HD21 ' A' ' 48' ' ' LEU . 64.1 mt -130.29 124.11 57.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.324 176.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.475 ' HA ' ' SD ' ' A' ' 1' ' ' MET . . . -77.31 153.69 33.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.04 -177.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -62.98 -22.39 66.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.358 0.599 . . . . 0.0 110.24 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -66.63 -28.17 68.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.865 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.83 -16.85 43.02 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.301 -175.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.416 HD11 HD13 ' A' ' 2' ' ' ILE . 88.6 mt -85.51 150.81 24.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.208 -177.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.932 ' HB2' ' HB3' ' A' ' 40' ' ' ARG . 40.1 mt-10 -88.12 101.16 13.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 175.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.3 mm -100.12 130.93 48.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.99 -173.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.51 146.55 36.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.06 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.35 133.38 35.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.69 173.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.584 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 51.5 mt -73.12 118.96 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.084 0.468 . . . . 0.0 110.364 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' A' ' 21' ' ' ARG . 7.8 tpt180 -93.45 31.47 1.52 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.966 -177.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.583 ' H ' HG22 ' A' ' 20' ' ' ILE . . . -146.11 -171.59 3.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.469 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -79.48 6.15 11.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.695 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.593 ' HA3' ' OE1' ' A' ' 75' ' ' GLN . . . 77.95 -87.16 1.07 Allowed Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.964 174.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -150.75 159.3 44.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.686 0.279 . . . . 0.0 110.66 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.86 -175.63 26.81 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.539 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 158.51 -55.72 0.36 Allowed Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -123.38 -174.86 3.05 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 171.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 35.5 p80 -60.97 126.83 28.81 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 t -98.36 125.22 51.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.271 0.558 . . . . 0.0 111.374 -172.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -134.8 13.96 3.66 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.753 176.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -83.23 150.2 26.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.064 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.7 t -85.63 170.66 12.33 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.18 44.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -176.299 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.447 ' HB2' ' HG2' ' A' ' 78' ' ' ARG . 61.8 m -103.7 70.26 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 173.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.584 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -121.74 157.82 30.13 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.801 -175.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mm -100.36 132.24 46.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.288 -177.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -132.51 104.42 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.438 175.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.676 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.3 pt? -116.85 144.33 44.63 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.045 0.45 . . . . 0.0 110.484 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.932 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 10.1 ttt180 -112.58 108.21 17.21 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.813 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -96.63 103.86 15.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.879 -176.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -103.93 146.5 28.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.91 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.792 HG12 HD13 ' A' ' 56' ' ' LEU . 1.4 mp -85.67 -42.07 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.371 -177.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -61.46 -23.18 65.69 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.609 -174.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.74 -26.21 68.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.622 176.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.5 t -130.12 -166.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.45 78.51 0.36 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.925 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.401 HD21 HD11 ' A' ' 10' ' ' ILE . 75.2 mt -75.69 155.72 85.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.529 0.204 . . . . 0.0 110.842 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.409 ' HB2' ' HD2' ' A' ' 52' ' ' TYR . 50.5 Cg_exo -53.37 149.82 28.43 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.976 2.451 . . . . 0.0 112.613 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.04 -37.14 78.93 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -170.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -64.06 -46.26 85.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.543 0.211 . . . . 0.0 111.238 -177.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.595 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 89.3 m-85 -64.69 -45.4 86.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.93 0.395 . . . . 0.0 109.938 175.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -52.96 -48.11 67.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.941 -178.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -72.75 -42.22 64.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.646 0.26 . . . . 0.0 111.255 -176.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -62.29 -33.9 75.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.792 HD13 HG12 ' A' ' 43' ' ' ILE . 91.8 mt -57.53 -42.02 82.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.923 0.392 . . . . 0.0 111.705 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.02 -14.47 31.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.549 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.4 m -93.72 -42.57 9.08 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.78 0.324 . . . . 0.0 111.617 -177.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.93 97.57 10.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.465 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.5 m -68.21 100.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.288 0.566 . . . . 0.0 111.553 -174.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -108.15 140.26 41.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.19 174.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -86.25 11.02 13.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.863 0.84 . . . . 0.0 110.074 -174.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.421 ' HG ' ' HB3' ' A' ' 106' ' ' ARG . 5.5 mp -86.28 -6.75 58.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.302 -1.317 . . . . 0.0 108.993 170.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.469 HD13 HG13 ' A' ' 70' ' ' ILE . 48.0 mm -82.65 136.0 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.54 175.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.521 ' CB ' HD13 ' A' ' 71' ' ' ILE . 29.6 t -80.48 -84.46 0.1 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.546 -176.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -121.84 -86.58 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -170.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -87.92 49.0 1.72 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.579 0.704 . . . . 0.0 110.793 -173.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.65 29.53 63.37 Favored Glycine 0 C--O 1.226 -0.352 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.643 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.454 HG11 ' NH1' ' A' ' 40' ' ' ARG . 7.7 p -112.7 144.87 19.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.482 0.182 . . . . 0.0 110.565 -177.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.469 HG13 HD13 ' A' ' 64' ' ' ILE . 4.3 mp -98.53 124.75 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.583 -176.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.621 HG21 ' HG2' ' A' ' 110' ' ' PRO . 2.3 mp -121.23 123.76 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.89 0.376 . . . . 0.0 110.061 175.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.676 ' HB ' HD21 ' A' ' 39' ' ' LEU . 3.6 mp -106.0 143.13 17.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.638 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.641 ' HD2' ' HG3' ' A' ' 110' ' ' PRO . 51.7 mtpt -118.04 146.83 43.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.011 0.434 . . . . 0.0 110.558 176.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.74 135.07 19.41 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.149 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.593 ' OE1' ' HA3' ' A' ' 24' ' ' GLY . 12.6 pt20 -158.37 104.34 1.83 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.893 0.378 . . . . 0.0 110.472 -176.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -146.98 -85.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 176.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 20.4 t80 -92.78 10.83 29.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.359 -169.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.447 ' HG2' ' HB2' ' A' ' 35' ' ' SER . 23.1 mtm180 74.0 -35.9 0.32 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.375 0.67 . . . . 0.0 112.125 178.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.7 m -56.69 106.82 0.33 Allowed 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.027 0.441 . . . . 0.0 110.569 177.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.53 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 21.5 mp0 -59.25 -36.58 75.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.127 -175.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -51.07 -54.08 28.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.414 0.446 . . . . 0.0 111.481 -176.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.656 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 3.6 pp -76.41 -30.12 57.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.176 0.513 . . . . 0.0 111.03 -176.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -68.7 -37.33 79.45 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.727 176.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 18.3 mtm180 -68.29 -47.4 67.72 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.7 177.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.656 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 12.9 pt-20 -65.22 -33.59 76.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 111.129 -176.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.77 82.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.871 0.367 . . . . 0.0 110.495 173.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.6 94.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.191 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.546 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 88.8 mt -59.86 -49.61 83.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.157 175.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.61 -44.79 77.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.914 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -61.35 -44.29 97.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.959 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.2 pp -72.79 -38.19 67.33 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.979 -176.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.557 ' HA ' HD12 ' A' ' 95' ' ' ILE . 82.6 t -63.46 -39.19 84.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.936 0.398 . . . . 0.0 109.93 177.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.568 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -60.85 -44.73 96.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.607 176.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.3 t -58.16 -37.87 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.039 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 92' ' ' VAL . 82.1 mt -56.23 -43.52 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 110.262 175.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -69.46 -37.91 77.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.838 177.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 29.7 mm-40 -60.02 -43.36 95.33 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.462 -178.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.642 HD22 HD23 ' A' ' 56' ' ' LEU . 10.6 mp -76.09 -15.38 60.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.246 -178.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.4 m -80.14 -29.33 38.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.585 0.707 . . . . 0.0 109.432 174.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.94 165.55 15.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.237 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -94.12 14.51 19.77 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -97.34 -179.41 4.49 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.564 -171.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -101.24 142.48 32.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.204 0.526 . . . . 0.0 112.368 -170.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.7 t -139.93 117.81 11.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.0 173.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -121.27 125.06 46.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.271 -172.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.421 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 36.4 ttt180 -168.01 143.14 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 173.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -104.03 111.04 23.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.653 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 61.0 m -151.33 105.17 3.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.73 0.3 . . . . 0.0 111.139 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -139.63 87.85 12.83 Favored Pre-proline 0 C--O 1.234 0.286 0 CA-C-O 121.006 0.431 . . . . 0.0 111.412 174.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.641 ' HG3' ' HD2' ' A' ' 73' ' ' LYS . 38.9 Cg_endo -100.02 76.28 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.163 0 C-N-CA 123.754 2.97 . . . . 0.0 111.659 172.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -78.46 109.52 12.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.599 -176.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -154.79 104.61 2.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.783 174.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -153.47 116.18 4.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.706 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.5 m -148.64 117.43 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.403 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -174.28 98.44 0.1 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.774 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -149.76 133.24 16.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.064 0.459 . . . . 0.0 111.745 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -155.36 106.11 2.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.75 171.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.53 141.3 50.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.547 -179.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.471 ' HG ' ' H ' ' A' ' 120' ' ' SER . 13.8 tp -173.88 -179.42 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.473 -175.247 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.471 ' H ' ' HG ' ' A' ' 119' ' ' LEU . 56.9 p 73.13 129.38 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.06 1.344 . . . . 0.0 112.774 174.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.8 p 173.63 113.56 0.02 OUTLIER 'General case' 0 C--O 1.233 0.232 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.684 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -147.86 130.98 16.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.04 0.448 . . . . 0.0 111.596 -176.241 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -168.69 108.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.957 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -135.02 125.58 26.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.994 0.426 . . . . 0.0 111.628 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -162.54 166.77 24.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.03 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.4 t -175.45 139.58 0.45 Allowed 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.377 0.423 . . . . 0.0 110.037 -175.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.2 m -150.48 136.2 18.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.41 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.7 p -157.83 140.19 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.131 -176.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -138.5 150.49 46.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.294 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -154.92 107.99 2.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.392 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.564 ' HG ' ' HG3' ' A' ' 132' ' ' ARG . 2.6 pt? -169.21 -178.02 3.06 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.935 -178.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.564 ' HG3' ' HG ' ' A' ' 131' ' ' LEU . 99.5 mtt180 77.07 156.17 0.17 Allowed 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.302 1.001 . . . . 0.0 112.183 178.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 168.27 163.66 22.62 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.811 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -162.69 132.23 4.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.164 0.482 . . . . 0.0 110.844 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 48.6 t -126.59 126.08 68.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.775 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -135.47 144.7 46.54 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -135.69 94.85 14.58 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 120.921 0.391 . . . . 0.0 110.637 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -88.68 117.85 0.95 Allowed 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.296 2.664 . . . . 0.0 112.398 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 87.9 mt -100.74 118.25 36.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.54 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -120.87 178.03 4.87 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.4 mt -124.12 157.51 34.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.354 0.597 . . . . 0.0 112.215 -170.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -122.71 159.87 27.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.17 -0.923 . . . . 0.0 108.823 173.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -161.09 82.49 0.64 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.03 0.443 . . . . 0.0 110.481 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -83.77 115.16 22.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.012 177.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -112.41 116.17 29.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.296 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -103.14 129.74 50.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.051 178.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -75.85 134.27 40.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.891 0.377 . . . . 0.0 110.549 -178.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.635 -0.698 . . . . 0.0 109.524 176.647 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.858 HD11 HD11 ' A' ' 15' ' ' LEU . 45.8 mm -105.4 132.06 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.035 0.445 . . . . 0.0 111.234 -178.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.62 120.85 38.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.252 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.881 ' HB ' HG13 ' A' ' 8' ' ' VAL . 34.7 mm -98.89 164.2 2.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -178.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.446 ' N ' HG22 ' A' ' 4' ' ' ILE . 2.6 p -61.16 142.71 56.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.066 0.46 . . . . 0.0 111.013 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 73.05 43.38 0.4 Allowed 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.751 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 76.84 -25.33 0.2 Allowed 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 164.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.881 HG13 ' HB ' ' A' ' 4' ' ' ILE . 7.6 p -62.72 131.34 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.144 0.497 . . . . 0.0 111.099 -178.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.6 m -118.29 155.29 30.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.348 -175.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.552 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 57.0 mt -130.18 154.36 40.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.521 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.49 162.3 25.92 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.147 0.499 . . . . 0.0 111.219 -177.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -79.06 -41.84 27.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.889 -174.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -85.69 14.97 5.08 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -170.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -94.94 -2.25 50.89 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 120.947 0.404 . . . . 0.0 111.115 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.858 HD11 HD11 ' A' ' 2' ' ' ILE . 92.6 mt -79.89 140.76 36.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.737 177.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -105.89 112.93 26.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 175.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -105.55 127.79 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.039 0.447 . . . . 0.0 110.974 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 p -125.07 149.14 48.11 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.345 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.33 125.96 46.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.502 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.54 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 60.9 mt -71.48 143.89 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.108 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -51.41 106.14 0.13 Allowed 'General case' 0 CA--C 1.53 0.176 0 O-C-N 123.633 0.583 . . . . 0.0 111.859 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.92 -49.93 4.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.386 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.552 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 52.9 tt0 -82.5 103.07 11.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.787 -177.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.22 154.26 20.73 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.692 178.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.47 153.21 40.9 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.808 0.337 . . . . 0.0 111.146 -177.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.45 -64.21 0.58 Allowed Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.788 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.56 170.33 42.99 Favored Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 61.41 -173.56 0.14 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.43 0.634 . . . . 0.0 111.416 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -112.78 102.02 10.07 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 174.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.1 p -111.45 -14.65 10.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.881 -171.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.552 ' OD1' ' HA ' ' A' ' 23' ' ' GLN . 42.0 m-80 -73.77 64.15 0.92 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.544 -178.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -103.15 -16.43 15.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.402 175.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.1 m -108.57 126.21 52.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.941 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.7 m -147.79 149.28 32.06 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.1 m 56.87 44.89 22.45 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 123.644 0.59 . . . . 0.0 112.281 177.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.54 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -90.33 127.8 36.27 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.566 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 50.0 mm -97.49 124.99 50.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.284 0.564 . . . . 0.0 111.02 -174.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.403 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 55.1 t-80 -118.73 115.76 25.16 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.437 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.625 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.6 pt? -132.79 150.28 52.18 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 32.6 ptt180 -130.79 137.4 49.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.154 0.502 . . . . 0.0 110.95 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -108.79 109.97 21.23 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 174.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -113.62 153.66 28.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.947 0.403 . . . . 0.0 111.302 -172.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.515 HG21 ' HE3' ' A' ' 53' ' ' LYS . 63.1 mt -64.63 -44.33 96.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.3 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -65.15 -19.04 65.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.915 -176.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.75 -18.13 62.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.657 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t 66.3 179.34 0.21 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.681 0.753 . . . . 0.0 111.268 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.72 -48.05 0.98 Allowed Glycine 0 C--N 1.316 -0.577 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.732 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 94.4 mt -73.53 143.3 82.16 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.712 0.291 . . . . 0.0 110.947 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 17.8 Cg_exo -69.39 153.04 71.2 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.781 2.321 . . . . 0.0 111.49 174.063 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 44.5 mt-10 -57.83 -39.0 76.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.046 -174.307 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -55.83 -51.12 68.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.89 0.376 . . . . 0.0 111.225 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.453 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 85.9 m-85 -71.29 -34.3 70.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.305 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.515 ' HE3' HG21 ' A' ' 43' ' ' ILE . 83.3 tttt -55.17 -42.57 73.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.125 175.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 32.5 mm-40 -67.24 -40.31 86.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.227 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -68.14 -31.39 70.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.106 -175.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 52' ' ' TYR . 96.7 mt -63.34 -33.03 74.64 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.107 0.479 . . . . 0.0 110.759 177.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.0 mt -79.72 -17.46 53.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.838 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.8 m -84.18 -44.81 13.59 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.406 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.37 106.85 18.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.546 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.5 m -75.27 63.8 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.233 0.54 . . . . 0.0 110.635 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -81.4 142.78 32.67 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -63.49 -28.48 69.98 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -170.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.46 HD22 ' CG2' ' A' ' 94' ' ' VAL . 6.9 mp -72.13 -3.47 23.43 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.763 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.45 HD13 HG13 ' A' ' 70' ' ' ILE . 43.2 mm -76.56 126.58 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 167.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.585 ' HB2' HD13 ' A' ' 71' ' ' ILE . 19.0 t -74.23 -46.89 38.83 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.557 -167.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -155.01 -75.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.338 -176.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -91.54 -83.48 0.28 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.833 0.349 . . . . 0.0 111.086 -178.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -137.95 33.37 2.26 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 121.02 -0.609 . . . . 0.0 111.904 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.501 HG13 ' HB3' ' A' ' 65' ' ' SER . 8.1 p -116.29 142.8 28.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 -178.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.45 HG13 HD13 ' A' ' 64' ' ' ILE . 4.4 mp -105.44 122.6 58.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.585 HD13 ' HB2' ' A' ' 65' ' ' SER . 1.6 mp -113.23 123.82 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.625 ' HB ' HD21 ' A' ' 39' ' ' LEU . 4.8 mp -111.75 134.15 55.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.898 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -106.02 119.31 38.86 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.541 0.686 . . . . 0.0 110.654 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.632 ' HB2' ' HB2' ' A' ' 87' ' ' ALA . . . -114.09 123.57 49.98 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.938 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -154.79 104.53 2.52 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.388 0.614 . . . . 0.0 110.92 -174.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.33 -73.45 0.67 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 170.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -174.16 -48.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.226 172.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.679 ' HG2' ' H ' ' A' ' 79' ' ' SER . 23.2 ttp180 -146.58 177.98 8.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.969 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.679 ' H ' ' HG2' ' A' ' 78' ' ' ARG . 19.3 m 65.79 85.92 0.14 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.57 0.7 . . . . 0.0 110.384 -177.153 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -62.73 -30.15 71.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.841 -172.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.71 -52.81 63.54 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.95 -32.0 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.18 -176.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -60.77 -45.08 95.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.781 174.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -65.21 -44.24 88.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.852 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -56.19 -41.42 75.51 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.58 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.57 -33.64 73.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.771 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.632 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . . . -67.06 -46.19 75.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.458 177.144 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.634 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 77.9 mt -63.17 -48.7 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.277 177.398 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.89 -32.45 69.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.128 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.525 ' O ' HG23 ' A' ' 94' ' ' VAL . 23.1 tpt180 -66.21 -49.78 66.1 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.817 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.8 pp -66.54 -36.23 82.18 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.496 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 88' ' ' ILE . 88.3 t -61.51 -42.91 95.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.427 176.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.96 91.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 177.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 90' ' ' ARG . 63.3 t -63.58 -49.22 83.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.458 177.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 91' ' ' LEU . 83.1 mt -59.35 -45.49 93.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.761 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 98.2 mttt -65.04 -24.27 67.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.548 0.213 . . . . 0.0 111.503 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -77.14 -43.72 32.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.784 0.326 . . . . 0.0 111.308 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.0 mp -75.97 -33.01 59.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.674 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 81.1 p -99.84 8.72 43.96 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.603 -176.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 96' ' ' LYS . . . -62.88 143.07 57.98 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.399 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -72.53 93.27 1.56 Allowed 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.601 176.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -154.83 169.17 24.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.506 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -51.6 -38.69 55.69 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -170.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.7 m 66.18 -68.07 0.14 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.383 0.673 . . . . 0.0 111.941 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 105' ' ' ARG . 10.4 ttm180 -131.01 -48.84 1.02 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.384 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.43 ' C ' ' HD3' ' A' ' 106' ' ' ARG . 0.4 OUTLIER 65.26 90.68 0.09 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.982 0.801 . . . . 0.0 109.794 -175.279 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -154.29 17.41 0.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.933 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.7 t -169.13 170.75 8.55 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.501 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 5.5 ptm180 -69.9 136.04 87.54 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.782 0.325 . . . . 0.0 110.673 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 109' ' ' ARG . 4.7 Cg_exo -74.16 171.58 17.71 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.037 2.492 . . . . 0.0 112.857 -179.025 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.6 m -98.99 154.37 18.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.667 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -72.28 71.87 0.91 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.954 0.407 . . . . 0.0 111.13 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -162.14 113.13 1.6 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.392 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 36.7 m -151.94 104.32 2.99 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -139.04 44.19 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.652 0.263 . . . . 0.0 111.276 -178.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.05 139.55 58.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.174 175.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -138.94 117.39 12.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.383 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -135.73 129.38 32.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.758 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.6 mt -123.43 74.37 1.24 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.293 175.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.7 m -85.88 76.73 9.83 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.5 m -109.98 96.08 6.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.081 0.467 . . . . 0.0 111.265 -176.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -151.04 107.44 3.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.882 177.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -132.61 79.85 1.87 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.162 0.506 . . . . 0.0 110.771 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -114.21 126.74 55.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.195 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -152.28 148.09 27.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.113 0.483 . . . . 0.0 111.058 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.9 m -152.96 96.82 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.612 175.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.8 m -136.22 106.44 6.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 -176.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.0 p -140.77 130.36 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.082 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -156.82 128.19 6.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.6 176.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -154.24 137.29 15.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.847 0.356 . . . . 0.0 111.166 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.0 pp -145.44 146.53 31.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.083 177.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.485 ' C ' ' HD2' ' A' ' 132' ' ' ARG . 1.6 ppt_? -149.7 173.5 13.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.876 -177.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.429 ' C ' ' HD2' ' A' ' 134' ' ' LYS . . . 136.72 143.0 4.53 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.274 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.429 ' HD2' ' C ' ' A' ' 133' ' ' GLY . 4.4 mptp? -126.08 132.9 51.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.794 0.297 . . . . 0.0 111.082 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.5 p -156.11 130.37 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -116.19 118.82 33.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.9 0.381 . . . . 0.0 110.894 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -100.64 109.33 57.18 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.115 175.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -86.35 163.26 9.75 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 123.083 2.522 . . . . 0.0 112.724 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -165.73 142.7 5.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.509 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -135.66 172.17 13.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 35.9 tp -157.1 118.94 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.777 0.322 . . . . 0.0 111.57 -173.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -130.46 99.77 5.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.206 0.527 . . . . 0.0 110.742 171.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -121.84 144.7 48.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.136 174.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -149.47 132.48 16.22 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.486 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -163.91 120.17 1.66 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.477 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -92.19 131.48 37.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.021 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -120.81 139.38 53.21 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.84 176.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.109 178.149 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 tpt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.553 HD13 HD21 ' A' ' 15' ' ' LEU . 3.7 mp -117.24 123.94 72.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.951 0.405 . . . . 0.0 110.958 -175.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.21 95.38 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.801 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.615 HG13 HD13 ' A' ' 10' ' ' ILE . 35.1 mm -79.34 156.9 4.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.463 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.5 m -86.17 164.08 17.44 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.349 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.418 ' HG3' ' HB3' ' A' ' 51' ' ' TYR . 0.0 OUTLIER 67.07 71.2 0.37 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.039 -179.72 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 6' ' ' ARG . 1.1 m 75.72 -44.52 0.51 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 164.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.483 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 8.7 p -105.76 154.46 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 122.019 -0.426 . . . . 0.0 111.646 -171.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.4 m -135.21 156.35 49.13 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 171.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.615 HD13 HG13 ' A' ' 4' ' ' ILE . 1.4 mp -100.23 140.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.835 0.35 . . . . 0.0 110.424 -177.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.25 -175.07 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.815 -173.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -95.44 -55.41 3.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.803 -173.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -79.34 -14.6 58.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.274 0.559 . . . . 0.0 111.14 -173.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -83.15 9.8 9.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.86 -176.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.553 HD21 HD13 ' A' ' 2' ' ' ILE . 84.5 mt -78.01 150.53 33.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 111.923 -177.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -95.96 119.42 34.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.175 176.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.2 mm -128.03 120.56 53.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.012 0.434 . . . . 0.0 110.649 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.579 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -121.34 149.88 42.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.983 178.775 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.66 122.17 46.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.52 HD11 ' HB2' ' A' ' 38' ' ' HIS . 53.2 mt -96.61 121.23 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.311 0.577 . . . . 0.0 112.379 -173.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 115.036 -0.984 . . . . 0.0 108.387 168.506 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.633 0.254 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.7 mm -99.06 124.57 52.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.579 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 55.4 t-80 -112.1 121.78 45.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.02 -177.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.428 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.0 pt? -132.32 148.31 52.43 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -133.35 140.34 47.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.17 0.51 . . . . 0.0 110.859 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.509 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 60.2 t80 -107.74 102.74 11.94 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.873 175.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.475 ' HA ' HG23 ' A' ' 69' ' ' VAL . 12.7 t0 -106.53 136.49 46.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.235 0.54 . . . . 0.0 111.466 -173.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.436 HG12 HD12 ' A' ' 48' ' ' LEU . 43.5 mt -67.83 -44.8 85.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.466 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 -66.27 -22.3 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.256 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.6 -13.39 59.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.2 m -128.92 -162.89 1.23 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -176.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.9 71.0 0.5 Allowed Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.485 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 85.2 mt -69.59 145.1 94.81 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -173.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 15.8 Cg_exo -68.79 168.55 19.89 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.338 2.692 . . . . 0.0 112.916 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 1.028 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -60.31 -48.01 83.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.201 -174.615 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.418 ' HB3' ' HG3' ' A' ' 6' ' ' ARG . 44.5 t80 -65.1 -41.4 94.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.987 0.423 . . . . 0.0 110.882 -177.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.443 ' HE2' ' HE2' ' A' ' 41' ' ' PHE . 37.2 t80 -65.84 -47.44 74.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.152 -175.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 1.028 ' HE2' ' HA ' ' A' ' 50' ' ' GLU . 61.4 pttt -65.02 -34.22 77.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.7 0.286 . . . . 0.0 111.113 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -63.57 -41.2 98.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.61 0.243 . . . . 0.0 110.711 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HD3' ' O ' ' A' ' 98' ' ' LEU . 3.3 mmp_? -59.08 -45.89 89.68 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.379 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.432 HD22 HD11 ' A' ' 70' ' ' ILE . 86.2 mt -62.83 -31.76 72.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.106 -174.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 57' ' ' LEU . 4.4 mm? -91.27 -13.51 32.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.651 -177.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.2 p -99.31 -34.34 10.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.752 0.311 . . . . 0.0 111.525 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.432 ' HB1' HD12 ' A' ' 98' ' ' LEU . . . -83.35 90.09 7.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.23 0.538 . . . . 0.0 111.246 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.6 m -69.3 102.16 1.67 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.992 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.31 150.48 51.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.384 175.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -64.17 -26.66 68.62 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.641 0.258 . . . . 0.0 111.681 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 mp -62.16 -23.86 66.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.726 0.298 . . . . 0.0 111.43 177.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.495 HD13 HG13 ' A' ' 70' ' ' ILE . 35.8 mm -79.03 127.53 38.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.506 ' OG ' HD13 ' A' ' 71' ' ' ILE . 34.5 m -74.13 -54.47 7.72 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.766 -175.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t70 177.46 -48.62 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.688 0.618 . . . . 0.0 109.563 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -81.13 19.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.793 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.06 7.53 88.4 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.178 -177.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.475 HG23 ' HA ' ' A' ' 42' ' ' ASP . 6.7 p -89.41 142.95 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.509 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 4.0 mp -101.41 120.7 51.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.426 -176.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.506 HD13 ' OG ' ' A' ' 65' ' ' SER . 1.6 mp -112.06 123.55 67.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 0.0 109.943 177.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 45.0 mm -107.0 121.11 59.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.155 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -118.8 109.54 16.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.562 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.64 129.49 49.71 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.054 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -156.87 103.93 2.09 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.45 0.643 . . . . 0.0 110.533 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -124.12 -60.4 1.43 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.245 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -138.01 173.1 11.99 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.42 ' HB3' ' H ' ' A' ' 79' ' ' SER . 64.3 mtp180 -71.19 -164.01 0.1 Allowed 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.137 0.273 . . . . 0.0 110.84 174.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.42 ' H ' ' HB3' ' A' ' 78' ' ' ARG . 19.6 m 71.53 89.29 0.1 Allowed 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.79 0.681 . . . . 0.0 109.529 -173.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.96 -31.83 63.32 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.031 -177.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -51.08 -48.84 61.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.503 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.83 -38.65 64.47 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.979 -176.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -59.45 -45.01 92.8 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.0 mtm105 -65.57 -56.38 12.59 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.118 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -53.42 -45.78 69.53 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.0 -43.86 86.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.625 0.25 . . . . 0.0 111.021 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.64 87.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.269 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.532 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.4 mt -62.28 -51.89 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.786 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.82 -41.65 70.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 111.426 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.443 ' HD3' ' HA ' ' A' ' 90' ' ' ARG . 28.0 mmt180 -68.17 -46.06 71.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.744 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 4.1 pp -67.19 -38.39 85.28 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.775 -176.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.493 HG22 HG23 ' A' ' 2' ' ' ILE . 80.6 t -61.13 -44.39 98.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 120.92 0.391 . . . . 0.0 110.344 177.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.604 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -60.52 -48.52 81.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.518 177.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.2 -47.07 88.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 O-C-N 123.363 0.414 . . . . 0.0 110.995 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.3 mt -52.8 -49.44 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.578 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -62.95 -35.18 79.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.742 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.604 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 6.9 mm-40 -71.57 -39.03 70.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -177.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.466 ' O ' ' HD3' ' A' ' 55' ' ' ARG . 3.8 mm? -87.16 -23.64 24.75 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -178.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.9 m -76.77 -14.8 59.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.668 0.747 . . . . 0.0 109.195 172.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.082 172.722 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.45 -0.437 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.4 p -99.94 97.82 8.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.163 0.506 . . . . 0.0 110.886 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 29.9 m -131.5 6.05 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.769 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.686 ' HE3' HD23 ' A' ' 131' ' ' LEU . 6.5 tmtm? -94.89 107.61 19.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.045 -177.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -131.01 147.58 52.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.686 HD23 ' HE3' ' A' ' 129' ' ' LYS . 2.5 pp -148.54 165.35 31.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.869 0.366 . . . . 0.0 111.558 -175.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -142.68 -175.39 4.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.574 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 143.42 88.25 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.792 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -135.43 97.91 3.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.006 0.432 . . . . 0.0 110.364 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.6 p -137.32 134.82 47.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.049 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -96.78 112.24 24.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.174 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 137' ' ' ARG . 5.8 tpp180 -141.46 90.23 9.03 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.681 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -91.09 124.86 0.93 Allowed 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 123.005 2.47 . . . . 0.0 112.948 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.67 96.17 6.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.721 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -101.08 141.7 33.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.921 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 141' ' ' LEU . 1.2 pt? -145.56 95.24 2.62 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.343 0.592 . . . . 0.0 109.947 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -109.54 176.43 5.08 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.888 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -133.46 138.82 46.35 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.993 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -141.52 120.74 13.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.861 0.362 . . . . 0.0 110.948 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.617 174.944 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.738 0.304 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 4.2 mp -104.89 129.97 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.204 -178.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.82 117.33 29.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.379 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 5' ' ' SER . 23.0 mm -106.71 166.2 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.442 ' N ' HG22 ' A' ' 4' ' ' ILE . 58.0 m -56.79 160.37 3.45 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -176.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.476 ' HG2' ' OH ' ' A' ' 52' ' ' TYR . 27.3 mmm180 66.97 -88.54 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.873 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.3 p -146.72 1.99 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.727 0.299 . . . . 0.0 111.117 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.42 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 55.8 t -78.65 122.88 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.839 0.352 . . . . 0.0 110.594 -172.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.0 m -123.03 149.87 43.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.084 0.468 . . . . 0.0 110.151 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 64.2 mt -115.91 129.62 71.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.542 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -60.47 148.38 37.8 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -62.13 -24.85 67.4 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.353 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -114.87 10.59 16.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.218 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.542 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 7.1 mt-10 -73.01 -23.76 60.66 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.9 mt -85.75 122.21 29.51 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.555 171.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -75.51 115.07 14.79 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.202 0.525 . . . . 0.0 111.361 -176.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.5 mm -86.5 118.55 33.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.084 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.412 ' O ' ' HB3' ' A' ' 38' ' ' HIS . 0.3 OUTLIER -122.84 150.24 43.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.003 -176.323 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.47 145.07 25.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.516 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.62 ' CG1' ' HB2' ' A' ' 38' ' ' HIS . 40.1 mt -97.05 126.73 49.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.859 0.362 . . . . 0.0 110.592 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.007 -176.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.581 ' HB3' HD12 ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.444 -0.745 0 CA-C-O 121.142 0.496 . . . . 0.0 111.392 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.7 mm -100.22 133.69 42.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.678 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.62 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 57.9 t-80 -124.25 121.83 36.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.043 0.449 . . . . 0.0 110.535 -178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 39' ' ' LEU . 1.8 pt? -133.0 149.3 52.23 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 174.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 36.1 ptt180 -133.57 132.93 41.44 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.955 0.407 . . . . 0.0 111.126 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -113.03 118.4 34.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.123 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.441 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 9.7 t0 -105.65 134.38 48.87 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.635 174.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.1 mp -55.45 -43.08 70.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.741 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.441 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 56.4 mtt180 -64.28 -15.77 60.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.247 -177.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.53 -23.23 60.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.058 0.456 . . . . 0.0 110.461 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.2 t -122.38 -162.12 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.521 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.23 67.71 0.56 Allowed Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.9 mt -76.32 144.09 74.03 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.764 0.316 . . . . 0.0 111.665 -176.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -68.46 161.35 45.34 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.0 2.466 . . . . 0.0 112.037 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.509 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 70.8 mm-40 -62.23 -31.64 72.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.096 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -52.89 -51.0 62.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.516 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.476 ' OH ' ' HG2' ' A' ' 6' ' ' ARG . 85.9 m-85 -81.06 -34.41 32.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.636 -178.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 0.7 OUTLIER -57.03 -43.7 82.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.828 178.656 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.855 HE21 ' HA ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -70.91 -35.41 72.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.336 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.558 ' HD2' ' O ' ' A' ' 98' ' ' LEU . 29.2 mmt180 -60.99 -44.53 97.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.677 0.275 . . . . 0.0 111.471 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 52' ' ' TYR . 86.7 mt -69.15 -41.54 77.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.774 -176.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.9 mt -79.4 -16.43 56.22 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.5 p -90.86 -34.92 15.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.071 0.462 . . . . 0.0 111.719 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.17 99.05 6.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.241 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.2 m -57.33 120.63 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.238 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -140.6 152.06 45.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.63 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -81.45 -12.45 58.89 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 174.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.613 ' HB3' HG23 ' A' ' 70' ' ' ILE . 8.6 mp -59.47 -37.37 78.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.189 -1.369 . . . . 0.0 109.156 169.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.564 HD13 HG12 ' A' ' 70' ' ' ILE . 29.9 mm -78.8 124.28 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 174.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.458 ' OG ' HD13 ' A' ' 71' ' ' ILE . 16.8 m -97.16 -83.57 0.39 Allowed 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.54 -175.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -141.08 -52.84 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.722 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -74.64 14.27 0.51 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.246 -0.434 . . . . 0.0 112.07 -174.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.82 26.13 72.11 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.372 -173.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.7 p -105.57 144.15 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.188 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.613 HG23 ' HB3' ' A' ' 63' ' ' LEU . 51.1 mt -99.64 118.13 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.626 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.458 HD13 ' OG ' ' A' ' 65' ' ' SER . 1.7 mp -96.3 122.62 47.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.942 0.401 . . . . 0.0 110.33 177.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.0 mm -108.34 122.75 63.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.872 177.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -120.25 116.84 26.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.369 -178.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -135.98 142.1 44.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.998 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.537 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 18.2 pt20 -166.45 104.8 0.62 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.909 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -126.39 -68.66 0.8 Allowed 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.842 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.416 ' HB2' HD21 ' A' ' 82' ' ' LEU . 44.9 m-85 -102.62 14.57 31.62 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -174.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.9 ttp85 69.04 -43.25 0.51 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.6 0.563 . . . . 0.0 112.139 -177.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.1 m -46.1 114.25 0.76 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.338 0.59 . . . . 0.0 111.634 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -39.71 78.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.734 -174.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.79 -54.82 42.75 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -175.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 77' ' ' PHE . 4.0 pp -73.48 -36.3 65.79 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.464 -174.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -63.68 -32.98 74.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.6 mtp-105 -64.98 -57.48 8.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.397 0.618 . . . . 0.0 110.663 173.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.74 -32.55 73.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.974 -173.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.543 ' O ' ' HG2' ' A' ' 90' ' ' ARG . . . -68.74 -43.14 76.52 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.215 -0.194 . . . . 0.0 110.531 175.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.81 -43.63 90.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.819 0.343 . . . . 0.0 110.589 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.656 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 77.5 mt -61.87 -48.72 87.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.463 177.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.12 77.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.224 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 86' ' ' ALA . 26.1 mmm180 -60.67 -42.52 97.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.905 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.5 pp -74.33 -36.47 63.68 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.248 -179.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.624 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 92.3 t -62.33 -41.71 92.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.225 176.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.99 85.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.932 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 83.2 t -60.42 -44.84 97.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.309 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 64.1 mt -53.57 -47.82 59.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.815 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 26.0 mtpp -70.35 -23.58 62.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.358 -175.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -75.13 -47.64 27.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.118 0.485 . . . . 0.0 110.537 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.558 ' O ' ' HD2' ' A' ' 55' ' ' ARG . 9.9 mp -68.69 -30.31 68.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.878 -177.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.0 p -80.59 -3.03 48.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.86 0.362 . . . . 0.0 111.774 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.182 178.302 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 62.1 m . . . . . 0 N--CA 1.45 -0.443 0 CA-C-O 120.944 0.402 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.5 p -141.26 149.42 41.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.372 -177.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 30.9 m -104.1 -176.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.866 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -144.37 168.86 19.08 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.521 -0.178 . . . . 0.0 110.521 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.43 156.96 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.714 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 131' ' ' LEU . 1.2 tm? -118.85 -60.62 1.74 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.851 0.358 . . . . 0.0 110.531 -175.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -103.8 177.38 4.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.841 -175.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -107.84 -119.72 4.41 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -150.86 175.93 11.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.716 0.293 . . . . 0.0 110.56 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.43 134.26 49.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.107 0.479 . . . . 0.0 110.906 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -104.41 143.67 32.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.669 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.606 ' HA ' ' HE ' ' A' ' 137' ' ' ARG . 1.3 mmp_? -128.34 88.59 52.15 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.786 0.327 . . . . 0.0 110.291 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -81.12 110.13 2.25 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 123.125 2.55 . . . . 0.0 112.706 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 91.0 mt -103.42 156.77 17.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.976 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -145.0 144.83 31.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 111.363 -176.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 6.0 tt -127.55 123.02 34.82 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.09 137.45 43.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.343 0.592 . . . . 0.0 112.293 -172.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -113.9 140.73 48.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.42 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -140.97 137.71 33.25 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 . . . . . 0 C--N 1.324 -0.534 0 CA-C-O 120.98 0.419 . . . . 0.0 109.887 178.493 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.836 HD11 HD11 ' A' ' 15' ' ' LEU . 48.9 mm -98.34 120.56 47.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.524 0.202 . . . . 0.0 110.488 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.12 118.35 32.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.635 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 33.4 mm -109.46 165.34 5.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.457 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.461 ' N ' HG22 ' A' ' 4' ' ' ILE . 2.9 p -63.29 169.84 3.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.981 0.42 . . . . 0.0 112.121 -178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 69.09 -83.63 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.498 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -164.32 20.11 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.11 0.481 . . . . 0.0 110.64 -176.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.635 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 39.6 t -95.8 127.69 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.776 -176.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 m -140.61 147.44 39.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.932 0.396 . . . . 0.0 110.42 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.549 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 4.8 mp -129.43 139.4 51.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.542 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.22 142.3 58.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.915 0.388 . . . . 0.0 110.543 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.03 -24.11 67.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.844 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -76.61 -7.01 54.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.235 -176.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.55 -11.33 56.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.668 0.271 . . . . 0.0 111.341 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.836 HD11 HD11 ' A' ' 2' ' ' ILE . 91.8 mt -85.22 136.24 33.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.908 0.385 . . . . 0.0 111.763 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.475 ' OE1' ' HD2' ' A' ' 40' ' ' ARG . 34.3 mt-10 -86.59 95.33 9.72 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.85 173.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.8 mm -95.61 113.49 30.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.555 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 p -117.9 145.43 44.65 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.108 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.95 130.63 34.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.917 0.389 . . . . 0.0 110.986 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.733 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 60.8 mt -81.75 126.22 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.43 178.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.521 174.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.733 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.577 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 47.4 mm -100.96 117.89 46.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.234 0.54 . . . . 0.0 111.688 -172.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.624 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 47.6 t-80 -113.68 108.02 16.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.405 174.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.57 HD21 ' HB1' ' A' ' 87' ' ' ALA . 2.4 pt? -129.06 148.94 51.06 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.055 0.455 . . . . 0.0 110.402 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.475 ' HD2' ' OE1' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -123.95 121.37 35.12 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.506 178.766 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.479 ' HE2' ' HG ' ' A' ' 48' ' ' LEU . 37.1 t80 -99.12 102.55 14.26 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 175.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.546 ' HA ' HG23 ' A' ' 69' ' ' VAL . 25.8 t70 -95.27 140.34 30.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.456 0.646 . . . . 0.0 111.384 -174.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.3 mp -91.4 -39.55 11.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.07 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -36.84 64.64 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.457 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.76 -3.74 13.42 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.632 0.373 . . . . 0.0 111.833 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.8 t 67.23 119.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.258 1.028 . . . . 0.0 111.64 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -157.01 -66.88 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.835 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.115 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HG ' ' HE2' ' A' ' 41' ' ' PHE . 89.2 mt -75.72 145.82 79.02 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 173.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.56 151.25 39.23 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.383 2.055 . . . . 0.0 110.958 172.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.907 ' HG3' ' HD2' ' A' ' 53' ' ' LYS . 22.4 tt0 -65.5 -20.52 66.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.807 0.337 . . . . 0.0 111.554 -171.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -68.62 -26.36 65.31 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.295 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -82.11 -34.95 29.02 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 171.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.907 ' HD2' ' HG3' ' A' ' 50' ' ' GLU . 1.0 OUTLIER -59.4 -40.69 87.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.033 177.738 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 84.2 mm-40 -60.82 -44.08 97.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.818 177.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -56.12 -49.04 75.02 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.806 HD23 HD22 ' A' ' 98' ' ' LEU . 80.4 mt -65.45 -28.59 69.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.764 -175.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.9 mt -85.82 -22.52 27.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.501 -178.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.4 p -84.15 -33.89 24.16 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.54 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.8 101.19 9.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.755 0.312 . . . . 0.0 111.438 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.4 m -68.83 99.09 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.41 ' HD2' HG13 ' A' ' 94' ' ' VAL . 13.7 t60 -99.66 27.9 5.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.33 -170.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 72.18 -56.61 0.64 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.67 0.788 . . . . 0.0 110.986 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.4 -19.71 65.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.751 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.1 mm -82.44 124.46 39.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 173.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.9 m -57.28 -66.13 0.51 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.193 0.308 . . . . 0.0 110.882 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 177.87 -53.39 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.576 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -81.22 -25.36 36.75 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -174.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.53 52.08 0.07 OUTLIER Glycine 0 C--O 1.228 -0.279 0 C-N-CA 119.974 -1.108 . . . . 0.0 113.778 175.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.546 HG23 ' HA ' ' A' ' 42' ' ' ASP . 12.8 p -138.42 144.11 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 173.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.1 mt -115.55 117.2 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.703 0.287 . . . . 0.0 110.444 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.2 mp -104.97 123.28 58.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.543 ' HB ' HD21 ' A' ' 39' ' ' LEU . 4.2 mp -98.87 129.47 49.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -109.38 99.72 8.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.046 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.577 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -107.33 124.34 49.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.21 0.529 . . . . 0.0 111.035 -177.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -157.68 107.53 2.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.724 178.12 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.598 ' HB3' HD21 ' A' ' 83' ' ' ASN . 34.8 tt0 -145.38 -76.95 0.21 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.469 -176.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.403 ' HB3' HD21 ' A' ' 82' ' ' LEU . 16.4 t80 -114.51 173.82 6.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.595 -172.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 78' ' ' ARG . 2.9 ptm180 -77.04 -3.7 40.46 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.639 -176.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.478 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 50.0 m -97.09 111.48 23.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.969 0.414 . . . . 0.0 110.573 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.441 HE21 ' HB2' ' A' ' 80' ' ' GLN . 1.5 mp0 -62.72 -32.98 74.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.1 -178.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -56.77 -53.95 51.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.271 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.478 ' CD2' ' HB2' ' A' ' 79' ' ' SER . 4.1 pp -65.88 -35.34 80.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.034 0.445 . . . . 0.0 110.495 -177.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.598 HD21 ' HB3' ' A' ' 76' ' ' GLU . 0.3 OUTLIER -64.28 -38.56 91.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.673 176.208 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.3 mtp85 -65.48 -50.12 66.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -59.2 -45.25 91.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.337 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 90' ' ' ARG . . . -66.38 -28.8 68.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 178.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.57 ' HB1' HD21 ' A' ' 39' ' ' LEU . . . -70.62 -46.66 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.928 0.394 . . . . 0.0 110.621 177.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.606 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 79.3 mt -65.01 -48.54 83.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.532 177.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.89 -25.45 68.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.017 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.531 ' HB2' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -65.72 -49.13 69.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.332 177.725 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.3 pp -69.73 -35.48 75.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.497 -176.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 88' ' ' ILE . 85.9 t -62.33 -39.69 85.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.29 177.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -63.22 -44.25 95.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.387 177.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.41 HG13 ' HD2' ' A' ' 61' ' ' HIS . 71.2 t -58.07 -43.77 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 178.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 91' ' ' LEU . 82.9 mt -57.41 -42.73 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.065 0.459 . . . . 0.0 110.402 177.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -71.42 -31.73 67.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.556 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 93' ' ' ALA . 57.3 mt-10 -68.54 -28.27 66.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.608 0.242 . . . . 0.0 111.566 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.806 HD22 HD23 ' A' ' 56' ' ' LEU . 10.7 mp -93.39 -30.96 14.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.046 179.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.2 p -77.42 -44.95 27.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.228 -0.295 . . . . 0.0 110.724 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.714 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 173.139 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.2 p . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 121.069 0.462 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.2 m -119.37 105.09 10.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.388 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.27 133.94 55.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.746 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -165.54 118.78 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.162 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.15 109.36 8.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.924 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -111.09 171.39 7.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.992 0.425 . . . . 0.0 110.717 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -149.96 148.61 29.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.039 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -123.08 179.76 16.03 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.819 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -120.48 143.93 48.27 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.2 p -108.66 142.58 20.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.283 0.563 . . . . 0.0 111.688 -174.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -133.01 134.14 44.05 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 171.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -128.85 129.76 23.46 Favored Pre-proline 0 C--N 1.321 -0.667 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.668 -175.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -87.18 166.25 8.17 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 123.18 2.587 . . . . 0.0 112.611 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 57.9 tp -147.93 113.76 5.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.956 177.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -101.93 132.3 47.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.392 0.615 . . . . 0.0 110.778 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 7.2 mp -106.7 6.4 29.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.586 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -66.8 118.82 10.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.522 -173.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -129.63 159.01 37.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.996 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -115.63 170.12 8.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.617 0.246 . . . . 0.0 110.384 -172.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 30.0 t60 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.196 -178.913 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.447 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.4 mp -84.99 116.08 27.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 120.94 0.4 . . . . 0.0 110.248 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.46 125.4 46.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.556 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 5' ' ' SER . 31.5 mm -109.31 165.2 5.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.442 ' N ' HG22 ' A' ' 4' ' ' ILE . 14.9 m -60.16 160.92 7.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 173.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 5' ' ' SER . 4.1 mpt_? 65.03 -164.35 0.25 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -175.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -88.77 37.94 0.86 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.887 0.851 . . . . 0.0 110.582 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.9 t -103.69 130.85 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.17 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -142.33 153.71 44.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.413 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 66.0 mt -133.48 133.87 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.656 -175.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.538 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -72.28 151.69 42.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.9 0.381 . . . . 0.0 110.52 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -75.26 -20.54 59.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -173.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -81.88 -5.22 58.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 0.0 110.946 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.538 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 23.9 mm-40 -89.02 -2.6 58.65 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.024 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.429 HD11 HD11 ' A' ' 2' ' ' ILE . 91.4 mt -82.83 136.06 34.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.677 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -85.1 102.55 13.34 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 176.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.9 mm -96.0 117.66 40.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.27 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.29 133.74 55.63 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.288 177.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.35 127.74 34.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.466 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 36' ' ' ALA . 53.0 mt -75.03 123.14 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.592 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 . . . . . 0 C--N 1.322 -0.593 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.586 177.252 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.457 ' HB3' HD12 ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.443 -0.783 0 CA-C-O 120.953 0.406 . . . . 0.0 110.596 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.9 mm -99.93 135.72 34.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.799 -173.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.411 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 49.7 t-80 -148.08 133.18 18.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.511 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -139.25 150.45 45.5 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.893 0.378 . . . . 0.0 110.25 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -126.17 123.27 37.87 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.177 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -116.17 109.48 17.51 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.183 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -110.95 158.9 18.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.08 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.0 mp -62.41 -43.3 98.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.264 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.5 tpt180 -60.23 -30.15 69.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.767 -174.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.36 -27.87 69.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 p -129.81 -175.65 3.67 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.115 0.484 . . . . 0.0 111.353 -175.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.05 65.51 0.25 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.107 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.6 mt -75.24 144.51 78.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.49 156.03 49.24 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.755 2.303 . . . . 0.0 112.258 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 2.2 mp0 -61.08 -41.2 96.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 0.0 110.669 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -66.42 -22.98 66.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.328 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.472 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -79.36 -44.17 22.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.824 173.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -52.82 -41.49 64.25 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.75 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 30.8 mm-40 -54.8 -56.72 16.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.661 -177.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -75.52 -24.63 56.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -171.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.587 ' HA ' HD23 ' A' ' 98' ' ' LEU . 91.2 mt -72.07 -41.72 67.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.754 0.311 . . . . 0.0 111.414 -177.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 57' ' ' LEU . 4.1 mm? -82.57 -17.76 43.73 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -174.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.1 p -76.12 -34.42 59.46 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.28 117.04 10.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.328 0.585 . . . . 0.0 111.781 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.4 m -85.38 88.94 7.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.001 178.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -131.09 136.82 48.74 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -67.79 -5.8 18.12 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -172.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.0 mt -69.83 -26.53 64.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.29 0.567 . . . . 0.0 109.586 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.443 ' CD1' HG12 ' A' ' 70' ' ' ILE . 24.0 mm -85.37 131.43 34.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 174.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.8 m -81.43 -85.35 0.1 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.572 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 68' ' ' GLY . 37.2 t70 -163.93 -38.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.163 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -72.87 20.2 0.08 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 66' ' ' ASP . . . 66.77 38.17 92.87 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.573 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.7 143.8 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 115.592 -0.304 . . . . 0.0 110.232 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.443 HG12 ' CD1' ' A' ' 64' ' ' ILE . 40.6 mt -94.29 119.56 42.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.034 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.5 mp -104.29 118.46 51.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.297 0.57 . . . . 0.0 110.191 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.9 mm -118.7 129.19 75.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.069 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -117.44 152.97 33.91 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 173.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.91 126.55 8.82 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.862 0.363 . . . . 0.0 111.497 -177.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -154.87 102.18 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.76 0.79 . . . . 0.0 110.016 173.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -117.47 -75.16 0.58 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.535 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.675 ' HB3' HD21 ' A' ' 82' ' ' LEU . 20.4 t80 -103.86 172.66 6.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 173.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.429 ' C ' ' HD2' ' A' ' 78' ' ' ARG . 7.5 ppt_? -82.21 -1.68 49.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.713 0.292 . . . . 0.0 111.78 -175.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.504 ' HB2' HD23 ' A' ' 82' ' ' LEU . 20.0 m -84.65 108.57 17.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.917 0.389 . . . . 0.0 110.669 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 81' ' ' GLU . 5.5 pm0 -55.76 -41.52 74.11 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -174.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.405 ' N ' ' HG2' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -58.24 -45.95 86.83 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -175.711 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.675 HD21 ' HB3' ' A' ' 77' ' ' PHE . 3.5 pp -68.99 -34.51 75.42 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.099 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -65.14 -39.59 93.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.169 175.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.3 ttm-85 -57.82 -54.42 47.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.136 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.34 -38.15 79.63 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.986 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.76 94.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.701 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.1 -43.63 94.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.635 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.55 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 89.3 mt -61.26 -49.48 84.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.312 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.58 -40.26 82.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.01 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 94' ' ' VAL . 12.4 mmt180 -61.52 -51.43 68.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.812 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.6 pp -64.72 -39.04 92.97 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.725 -176.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.433 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 96.2 t -64.6 -42.49 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.277 177.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.27 -43.37 92.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.858 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.503 ' O ' HD13 ' A' ' 98' ' ' LEU . 93.1 t -62.07 -45.12 99.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.138 176.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 45.9 mt -52.56 -46.77 49.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 176.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' ' 92' ' ' VAL . 9.0 mtpp -64.93 -27.86 69.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.409 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -77.51 -29.49 52.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.173 0.511 . . . . 0.0 110.923 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.587 HD23 ' HA ' ' A' ' 56' ' ' LEU . 10.2 mp -90.58 -43.46 10.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.315 -176.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 55.2 p -89.85 -17.78 27.45 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -170.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.707 -179.433 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.268 0.556 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.7 m -94.08 110.89 22.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.997 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.4 m -135.99 139.04 46.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 120.933 0.397 . . . . 0.0 111.972 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -144.02 126.68 16.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.542 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -98.14 144.08 27.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.515 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -146.57 120.05 9.07 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -116.5 132.4 56.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.52 110.79 0.46 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.277 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -140.04 95.66 2.93 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.9 171.94 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.26 0.552 . . . . 0.0 111.858 -174.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -142.19 118.76 10.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.196 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 137' ' ' ARG . 6.9 tpt180 -120.62 98.69 48.02 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-O 120.928 0.394 . . . . 0.0 110.665 -177.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -92.15 121.07 0.55 Allowed 'Trans proline' 0 N--CA 1.45 -1.078 0 C-N-CA 123.282 2.654 . . . . 0.0 112.297 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 139' ' ' LEU . 3.2 pp -126.33 141.01 52.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.138 175.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -113.92 151.81 31.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.105 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 87.7 mt -124.5 126.46 45.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.033 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -93.2 147.34 22.97 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.174 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -155.47 107.72 2.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.343 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -173.67 136.51 0.57 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 177.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 . . . . . 0 C--N 1.325 -0.49 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.76 -176.613 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.467 ' SD ' ' HA ' ' A' ' 11' ' ' ALA . 13.1 tpt . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.438 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.9 mp -107.6 119.21 56.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.987 0.422 . . . . 0.0 110.477 -175.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.83 118.67 33.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.72 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.577 HG13 HD13 ' A' ' 10' ' ' ILE . 41.1 mm -109.4 165.7 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.456 ' N ' HG22 ' A' ' 4' ' ' ILE . 9.5 t -64.3 157.54 25.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.758 ' HG2' ' H ' ' A' ' 7' ' ' THR . 14.6 ttm180 69.94 -176.54 0.2 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -175.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.758 ' H ' ' HG2' ' A' ' 6' ' ' ARG . 8.9 t -77.25 13.34 1.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -176.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.452 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 45.8 t -104.4 114.11 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.99 0.424 . . . . 0.0 110.952 -175.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.5 m -108.27 150.77 26.85 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 175.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.577 HD13 HG13 ' A' ' 4' ' ' ILE . 1.6 mp -113.09 135.9 51.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.76 0.314 . . . . 0.0 110.262 -175.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.467 ' HA ' ' SD ' ' A' ' 1' ' ' MET . . . -76.37 152.13 36.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.92 -178.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.1 -15.64 62.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.013 0.435 . . . . 0.0 110.93 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -78.42 -11.61 59.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.555 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -78.97 -25.54 43.47 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.018 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -83.03 129.98 35.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.226 -176.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.584 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 68.1 mm-40 -83.34 114.05 21.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.095 174.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mm -99.2 124.52 52.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.499 -174.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.83 149.46 35.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.743 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.68 145.85 24.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 176.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 53.6 mt -97.93 117.7 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.958 0.408 . . . . 0.0 111.157 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.159 174.571 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.55 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.48 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 50.5 mm -99.74 134.59 38.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.252 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.463 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 29.9 t-80 -130.14 136.12 48.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.433 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.584 ' HA ' ' O ' ' A' ' 16' ' ' GLU . 2.5 pt? -142.83 150.07 39.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.248 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.41 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 35.5 mmt180 -118.66 149.68 41.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.224 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -161.91 115.01 1.81 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.818 ' HB3' ' HB ' ' A' ' 69' ' ' VAL . 2.7 p30 -125.5 162.2 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.16 0.505 . . . . 0.0 111.495 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.559 HD11 ' HB2' ' A' ' 56' ' ' LEU . 32.2 mt -58.46 -43.27 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.545 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -60.87 -38.2 84.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.059 -174.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.82 -59.56 5.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.054 -178.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.8 m -90.97 -160.51 0.72 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.849 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.64 64.42 0.55 Allowed Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.639 -0.584 . . . . 0.0 111.639 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 90.3 mt -74.43 147.48 85.08 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 120.541 0.21 . . . . 0.0 111.207 -176.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 24.2 Cg_exo -64.29 146.83 90.71 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.694 2.263 . . . . 0.0 111.729 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.771 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 12.4 pt-20 -62.44 -27.48 69.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.419 -175.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -57.41 -42.14 81.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.036 0.446 . . . . 0.0 110.126 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.424 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 78.7 m-85 -81.42 -36.94 28.88 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.217 177.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.771 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 43.7 tttm -53.65 -50.81 64.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.706 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 11.2 mm100 -63.65 -42.95 98.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.568 0.223 . . . . 0.0 111.053 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -60.34 -37.55 81.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.54 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.629 HD23 ' HG ' ' A' ' 98' ' ' LEU . 97.6 mt -76.02 -35.54 59.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.374 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.3 mt -70.63 -46.63 62.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.655 0.264 . . . . 0.0 111.074 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 m -72.34 -61.92 1.62 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 54.48 179.26 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.1 t -173.08 28.91 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.061 -1.427 . . . . 0.0 107.172 176.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.772 ' HB3' HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -127.59 129.33 47.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.555 -1.202 . . . . 0.0 109.401 -173.678 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -82.12 45.21 0.91 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.937 0.875 . . . . 0.0 111.241 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.772 HD23 ' HB3' ' A' ' 61' ' ' HIS . 2.3 mm? -111.6 -18.01 12.9 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.251 -1.341 . . . . 0.0 109.168 169.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.7 mm -82.66 136.46 22.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.023 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 1.054 ' HB3' HG13 ' A' ' 69' ' ' VAL . 40.6 t -79.04 -46.28 18.45 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.206 -178.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' SER . 28.5 t70 175.53 -76.66 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.47 0.481 . . . . 0.0 111.443 174.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -83.6 51.27 1.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.528 0.68 . . . . 0.0 111.014 -170.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.42 26.72 73.73 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.116 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 1.054 HG13 ' HB3' ' A' ' 65' ' ' SER . 3.1 p -113.58 142.69 25.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 55.9 mt -96.24 139.76 18.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.426 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.5 tp -124.21 116.23 47.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.502 0.668 . . . . 0.0 110.149 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.538 ' HB ' HD21 ' A' ' 39' ' ' LEU . 46.8 mm -125.21 139.66 50.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.661 -178.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.48 157.26 22.21 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 171.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.48 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -152.2 123.47 7.69 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.827 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.402 ' O ' ' HG3' ' A' ' 75' ' ' GLN . 3.9 pt20 -166.38 104.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.583 0.706 . . . . 0.0 109.945 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.463 ' HB2' HD21 ' A' ' 83' ' ' ASN . 56.8 mm-40 -114.17 -69.24 0.87 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.562 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -111.95 -85.25 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.775 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -166.86 -21.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.93 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.2 m -69.8 110.57 5.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.585 0.231 . . . . 0.0 110.438 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -56.35 -35.86 68.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.704 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -50.72 -53.05 34.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.67 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -43.7 94.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.76 -174.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.463 HD21 ' HB2' ' A' ' 76' ' ' GLU . 13.1 m120 -71.71 -35.25 70.17 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.511 -177.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -64.61 -50.85 65.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.389 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -53.9 -47.07 71.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.213 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.35 -45.78 92.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.957 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.54 -45.89 84.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 111.162 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.553 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 85.1 mt -63.67 -50.08 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.759 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.61 89.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.656 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 94' ' ' VAL . 99.5 mtt180 -66.85 -39.81 87.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.702 -178.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 2.4 pp -68.43 -37.17 80.03 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.336 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 88' ' ' ILE . 96.4 t -63.17 -42.32 96.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 121.153 0.501 . . . . 0.0 110.0 176.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.07 -38.93 93.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.743 177.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.644 HG22 ' HG ' ' A' ' 63' ' ' LEU . 55.9 t -61.42 -44.65 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.067 178.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 91' ' ' LEU . 82.0 mt -57.57 -42.23 80.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.903 0.382 . . . . 0.0 110.624 178.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -70.35 -36.27 74.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.313 0.578 . . . . 0.0 110.487 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.623 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 3.0 mm-40 -58.7 -41.24 85.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.36 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.629 ' HG ' HD23 ' A' ' 56' ' ' LEU . 4.0 mm? -68.64 -26.33 65.28 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -177.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.8 p -89.33 -13.79 37.11 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.808 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-O 120.749 0.309 . . . . 0.0 110.984 -178.164 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.456 0.17 . . . . 0.0 110.728 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.4 m -131.24 130.73 43.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.623 0.249 . . . . 0.0 110.987 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 24.7 m -136.6 148.82 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.461 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -146.91 176.4 9.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.758 178.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -141.62 158.68 43.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.989 0.423 . . . . 0.0 111.421 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -139.54 179.92 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.056 178.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -136.7 158.16 45.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.499 0.19 . . . . 0.0 110.568 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.28 -174.15 28.7 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.473 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -144.6 133.16 22.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.682 0.277 . . . . 0.0 110.284 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.7 m -101.17 168.11 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.034 0.445 . . . . 0.0 111.766 -175.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.417 ' O ' ' HD3' ' A' ' 138' ' ' PRO . 60.5 ttt180 -140.24 148.13 41.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.512 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -107.29 100.46 33.41 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.659 0.266 . . . . 0.0 110.41 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 136' ' ' ARG . 10.0 Cg_endo -91.0 128.61 1.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.26 2.64 . . . . 0.0 112.425 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -144.95 140.12 28.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.297 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -125.39 152.88 44.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -97.89 174.53 6.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.998 0.428 . . . . 0.0 110.938 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -107.16 168.46 9.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.514 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 -143.8 101.15 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.659 0.742 . . . . 0.0 110.23 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -104.74 137.58 42.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.179 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 28.6 p80 . . . . . 0 C--N 1.322 -0.592 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.037 177.567 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttt . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.492 HD11 ' HB3' ' A' ' 12' ' ' ASP . 46.8 mm -94.54 125.02 47.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.659 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.11 101.83 13.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.046 0.451 . . . . 0.0 110.842 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.55 ' HB ' ' O ' ' A' ' 8' ' ' VAL . 34.7 mm -88.83 161.38 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 176.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.459 ' O ' ' HB3' ' A' ' 6' ' ' ARG . 4.1 p -63.29 169.55 3.54 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.66 0.266 . . . . 0.0 111.384 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.472 ' HG2' ' OG1' ' A' ' 7' ' ' THR . 36.8 ttt-85 73.86 -80.79 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.698 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.472 ' OG1' ' HG2' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -169.99 -32.82 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.934 0.397 . . . . 0.0 110.976 -174.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.55 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 7.7 p -60.98 132.86 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.998 -175.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -119.45 155.24 32.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.676 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.0 mt -130.12 147.8 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.16 -178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.69 125.2 33.0 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 174.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.495 ' HA ' ' HG ' ' A' ' 15' ' ' LEU . 5.9 p-10 -72.74 -5.62 39.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.241 0.543 . . . . 0.0 111.127 -178.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -75.84 -18.72 59.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.076 176.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -86.4 -9.39 56.42 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.426 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.495 ' HG ' ' HA ' ' A' ' 12' ' ' ASP . 85.0 mt -69.29 135.19 50.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.091 0.472 . . . . 0.0 111.509 -174.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 40' ' ' ARG . 51.2 mt-10 -85.85 94.61 9.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.906 -178.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.4 mm -87.36 123.48 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.56 149.57 24.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.851 0.358 . . . . 0.0 110.834 -173.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.55 108.84 20.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.683 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.501 HD11 ' HB2' ' A' ' 38' ' ' HIS . 36.9 mt -75.72 125.17 35.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.847 -175.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.429 ' HA ' ' HD2' ' A' ' 21' ' ' ARG . 22.1 tpt180 . . . . . 0 C--N 1.323 -0.553 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 175.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.386 0 CA-C-O 120.705 0.288 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.5 mm -111.34 133.2 57.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.803 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.501 ' HB2' HD11 ' A' ' 20' ' ' ILE . 60.4 t-80 -130.47 128.28 40.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.698 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.4 pt? -131.0 150.27 52.23 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.711 0.291 . . . . 0.0 110.254 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.432 ' CG ' HG21 ' A' ' 69' ' ' VAL . 71.0 ttt-85 -122.3 114.9 21.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.127 -178.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.462 ' HZ ' HD21 ' A' ' 48' ' ' LEU . 78.5 t80 -118.13 102.3 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -97.72 145.88 25.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.269 -174.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.685 ' HA ' HD12 ' A' ' 48' ' ' LEU . 51.4 mt -72.39 -47.72 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.033 -178.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -71.65 -35.41 70.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.036 -174.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.19 -29.4 66.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.193 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 t -98.19 176.76 5.62 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.226 0.536 . . . . 0.0 110.174 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.7 53.53 0.71 Allowed Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.505 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.685 HD12 ' HA ' ' A' ' 43' ' ' ILE . 88.1 mt -75.67 145.39 78.51 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.858 0.361 . . . . 0.0 111.2 -176.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 38.5 Cg_exo -61.53 147.85 94.43 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.985 2.457 . . . . 0.0 112.198 177.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.414 ' HA ' ' HE3' ' A' ' 53' ' ' LYS . 36.7 mt-10 -59.25 -37.73 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.879 -177.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -61.45 -39.19 89.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.305 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.443 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 54.3 m-85 -77.18 -36.7 54.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.807 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' A' ' 50' ' ' GLU . 24.6 ttpp -51.54 -57.22 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.509 -178.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -58.81 -43.21 90.55 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.422 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 25.4 mmt180 -62.45 -39.33 93.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.581 HD23 HD22 ' A' ' 98' ' ' LEU . 95.6 mt -63.22 -28.08 69.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.005 0.431 . . . . 0.0 111.123 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.1 mt -91.47 -19.75 22.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.848 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.422 ' OG1' ' HA ' ' A' ' 55' ' ' ARG . 3.9 p -96.01 -43.43 7.79 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -176.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.45 111.95 15.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.046 0.45 . . . . 0.0 110.129 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.3 m -80.52 78.36 7.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.498 0.665 . . . . 0.0 110.785 -174.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.47 131.24 37.06 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -73.62 59.19 0.62 Allowed 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 mp -143.59 -9.6 0.73 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.605 171.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.8 mm -73.16 130.25 35.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.758 ' HB2' ' HB ' ' A' ' 71' ' ' ILE . 34.7 t -82.98 -83.43 0.14 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.351 -175.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 68' ' ' GLY . 15.2 t70 -164.16 -40.48 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.808 0.337 . . . . 0.0 111.413 -177.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.67 -1.27 1.77 Allowed 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.768 -178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 66' ' ' ASP . . . 81.73 35.31 22.58 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 -164.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.451 HG13 ' HB3' ' A' ' 65' ' ' SER . 8.2 p -124.96 145.79 31.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 114.124 -1.038 . . . . 0.0 110.614 -171.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.2 mt -85.04 122.87 38.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.758 ' HB ' ' HB2' ' A' ' 65' ' ' SER . 1.1 tp -121.01 135.18 62.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.131 0.491 . . . . 0.0 110.38 -176.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.698 ' HB ' HD21 ' A' ' 39' ' ' LEU . 5.0 mp -128.8 124.42 61.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.277 177.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -103.81 97.03 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 170.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.96 135.96 35.85 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.765 -173.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.8 104.15 2.84 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.27 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.49 ' HB3' HD21 ' A' ' 83' ' ' ASN . 3.4 tm-20 -94.05 -86.28 0.27 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.231 178.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -146.85 -51.1 0.21 Allowed 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.233 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -158.23 -36.46 0.07 Allowed 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -172.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 t -73.57 106.94 5.56 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.153 -0.342 . . . . 0.0 111.518 -173.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -35.76 81.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.308 0.575 . . . . 0.0 109.606 177.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -58.83 -49.67 76.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.162 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 tp -71.7 -32.44 67.82 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.316 -177.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.49 HD21 ' HB3' ' A' ' 76' ' ' GLU . 13.1 m-80 -63.28 -35.23 79.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.5 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -60.92 -53.75 53.4 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.153 0.501 . . . . 0.0 110.373 173.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -57.12 -43.94 82.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.482 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.583 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -67.39 -45.32 76.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.14 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.64 -47.17 86.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.76 0.314 . . . . 0.0 111.192 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.625 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.6 mt -64.13 -49.39 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.803 178.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.06 75.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.477 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.583 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 8.7 mpt_? -62.02 -45.82 91.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.605 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.3 pp -69.6 -36.28 76.06 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.068 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 88' ' ' ILE . 96.8 t -63.64 -33.06 59.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.053 0.454 . . . . 0.0 110.366 176.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.444 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -71.02 -41.35 70.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.543 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 90' ' ' ARG . 75.2 t -57.32 -42.74 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 120.916 0.389 . . . . 0.0 110.399 177.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 91' ' ' LEU . 94.6 mt -55.7 -35.87 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.701 177.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -81.59 -34.42 31.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.685 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 93' ' ' ALA . 50.9 mt-10 -66.32 -33.36 75.55 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 111.505 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.581 HD22 HD23 ' A' ' 56' ' ' LEU . 11.0 mp -81.41 -15.57 54.77 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 p -99.1 -52.55 3.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.957 0.408 . . . . 0.0 110.484 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.591 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 170.031 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 28.8 p -139.89 175.46 9.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.841 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.0 p -147.42 129.73 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.247 0.546 . . . . 0.0 111.256 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -132.93 116.69 16.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.681 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.01 113.06 11.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.416 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 56.9 tp -122.88 135.4 54.5 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -115.02 147.55 39.97 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.049 174.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.83 152.26 24.13 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.437 ' O ' ' HD2' ' A' ' 134' ' ' LYS . 0.1 OUTLIER -142.3 146.78 35.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.165 0.507 . . . . 0.0 111.4 -179.043 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.14 133.78 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.295 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.44 121.81 4.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.04 0.448 . . . . 0.0 111.8 -177.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 138' ' ' PRO . 13.3 ttp180 -158.64 116.42 1.72 Allowed Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.678 172.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 137' ' ' ARG . 23.3 Cg_exo -64.58 150.92 87.41 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.035 2.49 . . . . 0.0 112.486 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.9 tt -109.93 105.39 14.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.839 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -105.25 131.95 52.07 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 49.8 tp -133.47 136.16 44.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.309 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.16 170.05 9.38 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.277 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -120.67 75.02 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.805 0.336 . . . . 0.0 110.178 -178.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -70.26 158.4 35.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.354 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 . . . . . 0 C--N 1.318 -0.764 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.488 -178.085 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.52 ' HA ' ' HB2' ' A' ' 12' ' ' ASP . 19.3 ptm . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 42.2 mm -97.75 95.81 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.45 114.69 26.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.065 -174.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.549 ' HB ' ' O ' ' A' ' 8' ' ' VAL . 20.0 mm -109.64 165.14 5.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.409 ' N ' HG22 ' A' ' 4' ' ' ILE . 50.2 m -71.34 174.62 6.26 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 175.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.77 ' HG3' ' H ' ' A' ' 7' ' ' THR . 8.7 tpt180 67.51 -165.18 0.21 Allowed 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -175.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.77 ' H ' ' HG3' ' A' ' 6' ' ' ARG . 10.6 t -91.35 18.14 7.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.207 0.527 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.549 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 40.9 t -112.65 123.87 68.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.997 -177.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.0 m -147.92 161.29 41.61 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 4.3 mp -117.11 144.24 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -175.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.534 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -61.23 154.32 23.84 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 110.798 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.52 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 13.4 t70 -65.45 -48.78 71.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -170.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -89.58 19.39 4.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.05 0.452 . . . . 0.0 111.243 -171.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.534 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 19.3 mm-40 -79.16 -37.56 38.1 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.871 0.367 . . . . 0.0 110.925 176.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.548 HD21 ' HD1' ' A' ' 41' ' ' PHE . 68.7 mt -85.49 138.43 32.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.586 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -88.03 131.41 34.66 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.27 0.557 . . . . 0.0 110.816 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.499 HD13 ' HB3' ' A' ' 39' ' ' LEU . 41.5 mm -103.39 111.92 34.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.534 177.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.95 151.18 26.15 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 36' ' ' ALA . . . -82.72 130.92 35.2 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.609 HG12 ' HB2' ' A' ' 38' ' ' HIS . 56.2 mt -67.01 113.53 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.363 0.601 . . . . 0.0 110.551 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 . . . . . 0 C--N 1.317 -0.831 0 CA-C-O 122.081 0.943 . . . . 0.0 109.009 179.511 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.585 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.443 -0.821 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.564 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 46.6 mm -100.14 122.22 51.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-O 121.648 0.737 . . . . 0.0 112.258 -170.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.609 ' HB2' HG12 ' A' ' 20' ' ' ILE . 13.3 t-80 -127.1 108.26 10.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.821 173.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.576 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.7 pt? -116.08 148.18 40.5 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 40' ' ' ARG . 10.4 ptm180 -115.0 120.49 40.07 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.171 -0.612 . . . . 0.0 111.368 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.548 ' HD1' HD21 ' A' ' 15' ' ' LEU . 90.3 t80 -120.35 105.98 11.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.676 177.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.47 ' HB3' HG23 ' A' ' 69' ' ' VAL . 5.5 p-10 -117.3 154.68 30.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.132 0.491 . . . . 0.0 111.031 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 56' ' ' LEU . 2.1 mp -59.13 -42.09 85.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.88 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -63.98 -8.03 10.29 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.17 -4.19 32.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.3 t -137.55 138.79 39.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.111 0.481 . . . . 0.0 110.849 -176.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.09 64.07 3.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.195 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 mt -75.96 150.04 83.2 Favored Pre-proline 0 C--N 1.318 -0.765 0 C-N-CA 122.408 0.283 . . . . 0.0 111.407 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.55 145.04 99.18 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.795 2.33 . . . . 0.0 111.306 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 0.9 OUTLIER -60.32 -40.28 90.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.25 0.834 . . . . 0.0 113.25 -168.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -60.53 -51.28 70.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.887 0.375 . . . . 0.0 111.259 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.448 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 60.4 m-85 -65.77 -37.2 85.68 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.109 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -58.05 -41.03 82.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.255 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 13.1 mm-40 -63.44 -46.03 88.19 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.026 0.441 . . . . 0.0 110.636 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -63.44 -36.96 85.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.854 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.565 ' HA ' HD23 ' A' ' 98' ' ' LEU . 92.3 mt -74.62 -28.68 60.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.278 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.0 mt -75.47 -41.91 54.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.716 0.293 . . . . 0.0 111.06 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.6 p -68.8 -47.8 65.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.903 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.963 ' HA ' ' HG ' ' A' ' 98' ' ' LEU . . . 60.1 -167.28 0.18 Allowed 'General case' 0 C--O 1.232 0.173 0 O-C-N 123.804 0.69 . . . . 0.0 112.142 175.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.7 t -169.46 27.59 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.524 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -148.15 155.33 41.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.402 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -74.99 12.42 0.87 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -174.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.491 HD22 HG21 ' A' ' 94' ' ' VAL . 6.9 mp -83.01 -7.37 59.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.874 0.369 . . . . 0.0 110.921 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.0 mm -80.79 131.64 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.892 174.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.543 ' HB2' HD13 ' A' ' 71' ' ' ILE . 34.8 t -92.96 -80.17 0.38 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.511 -177.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.4 -85.38 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.267 -172.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -87.24 -85.23 0.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.994 0.426 . . . . 0.0 110.735 -177.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -139.61 56.95 0.62 Allowed Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.537 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.47 HG23 ' HB3' ' A' ' 42' ' ' ASP . 7.3 p -120.37 141.73 39.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.874 0.369 . . . . 0.0 110.322 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.2 mp -107.4 119.84 57.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.483 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' A' ' 65' ' ' SER . 1.9 mp -102.0 118.13 48.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.191 0.519 . . . . 0.0 110.215 178.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.641 HG13 ' HB3' ' A' ' 91' ' ' LEU . 45.6 mm -99.68 115.84 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.725 177.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -96.96 119.64 35.81 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.199 176.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.564 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -120.32 124.19 44.97 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.038 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -153.43 102.37 2.58 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -125.56 -58.86 1.4 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.058 -177.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -167.02 -164.47 0.62 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -176.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 78' ' ' ARG . 13.6 ptt180 -70.69 -174.34 0.89 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.674 0.215 . . . . 0.0 110.765 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.6 m 68.31 85.16 0.14 Allowed 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.597 0.713 . . . . 0.0 111.095 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -57.49 -26.03 60.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.389 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -56.99 -53.6 56.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.753 0.311 . . . . 0.0 111.337 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.616 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 2.1 pp -72.94 -29.61 63.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.219 -177.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -65.31 -40.81 94.23 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.457 ' O ' HG13 ' A' ' 88' ' ' ILE . 31.3 ttt-85 -66.83 -51.64 53.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.779 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.616 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -61.23 -35.83 78.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.993 -177.403 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.47 -37.4 74.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.361 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.55 96.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.279 176.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.683 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 77.6 mt -61.4 -51.42 73.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.143 176.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.29 80.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.917 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.425 ' O ' HG23 ' A' ' 94' ' ' VAL . 11.6 ttp180 -71.0 -35.0 71.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.406 -178.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.2 pp -70.91 -35.76 72.41 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.861 178.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.596 HG12 ' HE2' ' A' ' 96' ' ' LYS . 49.1 t -66.89 -36.62 77.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.539 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . . . -60.15 -41.72 93.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.373 174.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.491 HG21 HD22 ' A' ' 63' ' ' LEU . 75.8 t -63.28 -39.82 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.457 175.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 91' ' ' LEU . 80.3 mt -59.57 -41.04 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.664 176.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.596 ' HE2' HG12 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -59.75 -36.95 77.66 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 120.521 0.201 . . . . 0.0 110.814 175.33 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -66.32 -48.16 71.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.357 0.599 . . . . 0.0 110.781 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.963 ' HG ' ' HA ' ' A' ' 59' ' ' ALA . 6.4 mp -70.31 -33.6 71.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.359 -174.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.4 p -93.76 -5.41 48.39 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.851 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 96' ' ' LYS . . . . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.843 0.354 . . . . 0.0 111.34 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.2 p . . . . . 0 CA--C 1.533 0.319 0 CA-C-O 120.404 0.145 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 42.8 t -170.91 119.29 0.51 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.75 0.309 . . . . 0.0 111.07 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 16.2 m -143.91 142.24 24.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.021 174.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -179.08 99.99 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 111.411 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -147.88 134.78 20.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.593 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' A' ' 132' ' ' ARG . 2.5 pt? -169.39 126.97 0.94 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.617 0.246 . . . . 0.0 111.414 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 39.2 ttp180 174.71 105.7 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.526 171.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -115.92 99.7 0.9 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.96 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -110.91 140.93 44.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.18 0.514 . . . . 0.0 111.698 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.4 p -142.71 140.1 28.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.328 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -120.87 144.78 48.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.191 0.519 . . . . 0.0 111.794 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -125.55 100.03 32.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.106 176.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -86.21 38.13 0.58 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 123.007 2.472 . . . . 0.0 112.006 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 96.5 mt -86.42 120.17 27.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.443 -170.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -164.65 104.8 0.82 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.875 171.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -123.99 116.91 23.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.025 -170.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.17 150.86 19.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.103 0.478 . . . . 0.0 111.135 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -123.36 112.42 17.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.348 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -122.2 163.9 18.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.934 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 11.7 t60 . . . . . 0 C--N 1.329 -0.319 0 O-C-N 123.987 0.804 . . . . 0.0 111.433 174.861 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.451 ' SD ' ' HA ' ' A' ' 11' ' ' ALA . 14.0 tpt . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.551 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 3.6 mp -102.89 116.24 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.81 0.338 . . . . 0.0 110.182 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.95 125.03 53.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.694 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.465 ' HB ' HG13 ' A' ' 8' ' ' VAL . 30.7 mm -109.9 165.69 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.563 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 29.5 t -56.64 154.16 9.28 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 5' ' ' SER . 13.5 mmt85 75.17 -164.01 0.07 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.752 0.658 . . . . 0.0 109.559 -169.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 t -102.2 35.91 2.27 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.6 0.714 . . . . 0.0 110.447 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.514 HG11 ' HD3' ' A' ' 49' ' ' PRO . 7.7 p -109.09 123.12 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.258 0.552 . . . . 0.0 110.899 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -127.58 152.7 47.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.551 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 mp -117.57 133.15 65.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 177.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.543 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -63.76 150.67 44.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.915 0.388 . . . . 0.0 111.01 -178.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.59 -35.18 79.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.738 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -108.51 33.46 4.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.541 0.686 . . . . 0.0 109.881 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.543 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 2.3 mt-10 -92.56 -35.27 13.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.997 172.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.505 HD13 HD12 ' A' ' 39' ' ' LEU . 97.9 mt -73.15 136.47 44.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.919 -178.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -80.36 98.68 7.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.304 0.574 . . . . 0.0 110.111 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.38 137.22 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.849 -177.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.11 149.34 48.65 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.575 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.92 140.65 29.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.725 0.297 . . . . 0.0 110.258 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.571 ' CG1' ' HB2' ' A' ' 38' ' ' HIS . 64.1 mt -89.52 116.19 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.279 0.561 . . . . 0.0 110.48 178.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.9 ttp85 . . . . . 0 C--N 1.314 -0.966 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.949 179.395 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.518 ' CB ' ' HB3' ' A' ' 75' ' ' GLN . . . . . . . . 0 N--CA 1.446 -0.642 0 CA-C-O 121.147 0.498 . . . . 0.0 110.759 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -102.09 136.67 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.9 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.571 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 57.1 t-80 -127.2 134.26 50.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.138 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.524 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.7 pt? -136.44 149.61 48.33 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 177.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.5 mtp-105 -106.64 110.2 22.32 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.266 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -97.09 102.01 13.69 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 174.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 45' ' ' ALA . 13.4 t70 -102.08 135.31 43.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.689 -173.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.0 mp -77.19 -43.56 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.543 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -66.66 -39.06 88.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.83 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 42' ' ' ASP . . . -73.0 -8.75 57.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.354 -177.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.2 p -112.69 -172.24 2.01 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 120.803 0.335 . . . . 0.0 110.611 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.41 57.83 0.7 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.083 -0.58 . . . . 0.0 111.718 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.9 mt -75.68 155.0 85.41 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.514 ' HD3' HG11 ' A' ' 8' ' ' VAL . 31.8 Cg_exo -58.45 149.04 77.3 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.271 1.98 . . . . 0.0 111.63 175.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.64 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 45.1 mt-10 -50.25 -54.49 20.82 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.566 -173.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -67.62 -34.2 76.5 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -174.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.445 ' HD1' ' HB2' ' A' ' 49' ' ' PRO . 52.6 m-85 -67.82 -43.29 79.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.858 -0.156 . . . . 0.0 111.276 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 50' ' ' GLU . 59.7 pttt -69.53 -33.88 73.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.685 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 29.4 mm-40 -71.38 -34.93 70.86 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -59.97 -28.86 68.02 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.814 0.34 . . . . 0.0 111.207 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.7 mt -75.6 -35.03 60.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.367 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.408 HD11 ' HA2' ' A' ' 68' ' ' GLY . 4.0 mm? -91.21 -15.06 29.88 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -176.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.4 p -88.51 -34.41 17.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.207 0.527 . . . . 0.0 110.829 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.16 123.87 26.53 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.151 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.0 m -79.07 69.68 5.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.391 0.615 . . . . 0.0 109.839 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.48 ' CD2' HD13 ' A' ' 63' ' ' LEU . 7.6 t60 -94.1 133.37 37.65 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -75.72 -8.26 56.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.036 0.445 . . . . 0.0 111.336 -167.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.48 HD13 ' CD2' ' A' ' 61' ' ' HIS . 9.6 mp -75.21 -15.66 60.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.189 173.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.6 mm -77.06 137.41 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 174.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.421 ' OG ' HG13 ' A' ' 69' ' ' VAL . 13.8 p -97.16 -84.75 0.37 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.711 -174.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -133.65 -76.92 0.48 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.823 0.344 . . . . 0.0 111.906 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -104.77 64.65 0.74 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.125 0.488 . . . . 0.0 112.129 -170.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.408 ' HA2' HD11 ' A' ' 57' ' ' LEU . . . 71.69 38.11 61.3 Favored Glycine 0 C--N 1.32 -0.325 0 CA-C-N 115.374 -0.83 . . . . 0.0 114.253 169.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.421 HG13 ' OG ' ' A' ' 65' ' ' SER . 7.8 p -134.93 142.52 40.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.071 0.462 . . . . 0.0 109.862 174.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.0 mt -102.0 133.87 44.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.227 -176.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.2 mm -106.8 122.93 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-O 121.155 0.502 . . . . 0.0 110.957 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.524 ' HB ' HD21 ' A' ' 39' ' ' LEU . 5.2 mp -120.98 132.68 69.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.886 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.422 ' HG2' ' CD1' ' A' ' 20' ' ' ILE . 83.3 mttt -119.1 108.83 15.19 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.801 0.81 . . . . 0.0 110.041 173.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.9 124.65 52.7 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.37 -1.286 . . . . 0.0 111.196 -175.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.518 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 13.1 pt20 -156.59 107.9 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.447 0.641 . . . . 0.0 111.439 178.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -74.34 -62.56 1.48 Allowed 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 167.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -147.72 -58.16 0.25 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.645 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -157.42 -42.87 0.07 Allowed 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -177.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.9 m -51.09 113.58 0.96 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.314 0.578 . . . . 0.0 112.066 -174.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.422 ' H ' ' CD ' ' A' ' 80' ' ' GLN . 19.8 mp0 -67.8 -42.52 81.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.252 -171.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -59.34 -53.48 57.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.277 -174.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.3 pp -68.73 -35.02 76.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.839 0.352 . . . . 0.0 110.36 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -65.66 -39.03 90.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.549 177.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -65.7 -47.46 75.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.09 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -61.98 -38.16 87.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.444 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.46 -32.14 73.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.467 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.444 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -68.98 -38.5 79.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.484 176.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.585 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 76.2 mt -60.72 -50.47 80.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.877 175.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.11 -34.61 76.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.571 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 94' ' ' VAL . 22.8 tpt180 -60.85 -49.18 78.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.974 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.2 pp -64.8 -38.82 92.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.564 -177.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.518 HG12 ' HE3' ' A' ' 96' ' ' LYS . 69.0 t -63.0 -41.06 91.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.068 0.461 . . . . 0.0 110.143 177.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.526 ' HA ' ' HG2' ' A' ' 96' ' ' LYS . . . -65.89 -44.96 83.75 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.61 177.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 90' ' ' ARG . 78.3 t -55.34 -43.45 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.397 . . . . 0.0 110.345 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 91' ' ' LEU . 94.8 mt -59.24 -46.3 92.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.526 ' HG2' ' HA ' ' A' ' 93' ' ' ALA . 15.3 ptpt -75.39 -30.18 60.06 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.293 -0.254 . . . . 0.0 111.681 -177.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.48 -31.74 73.08 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.097 0.475 . . . . 0.0 110.98 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 94' ' ' VAL . 11.0 mp -91.47 -38.01 12.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.229 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.4 p -74.52 -37.44 63.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.427 . . . . 0.0 111.195 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.596 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.612 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.4 m . . . . . 0 C--O 1.234 0.254 0 CA-C-O 120.555 0.217 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.6 t -161.94 97.34 1.04 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.233 0.539 . . . . 0.0 110.759 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.23 143.92 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.939 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -163.94 103.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 0.0 111.115 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -155.61 121.79 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.198 176.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.459 HD22 ' O ' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -159.2 133.15 7.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.021 0.438 . . . . 0.0 110.635 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -173.43 158.36 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.48 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 152.32 146.67 4.4 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.664 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -135.63 102.82 5.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.9 m -125.96 122.93 63.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.852 0.358 . . . . 0.0 111.406 -176.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.438 ' HA ' ' HE ' ' A' ' 136' ' ' ARG . 3.2 tpm_? -177.6 118.71 0.1 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.162 177.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -147.32 83.67 7.64 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -96.39 148.41 1.15 Allowed 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.286 2.658 . . . . 0.0 113.757 -177.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 61.9 mt -148.08 135.21 20.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.69 172.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -158.96 100.09 1.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.143 0.496 . . . . 0.0 111.119 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 56.4 tp -139.35 108.24 5.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.639 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.19 124.95 16.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.054 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -147.45 108.3 4.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -121.72 154.61 36.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.897 0.379 . . . . 0.0 110.799 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.322 -0.607 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.767 -174.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ttt . . . . . 0 N--CA 1.483 1.221 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp -106.55 134.1 49.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 0.0 110.835 -177.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.97 116.78 30.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.11 0.481 . . . . 0.0 110.64 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 5' ' ' SER . 30.8 mm -100.13 163.48 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.738 -179.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 7.1 t -62.63 162.47 10.53 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.511 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 1.6 mmp_? 69.86 28.17 4.35 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 122.472 0.309 . . . . 0.0 110.787 -175.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 t 48.96 31.46 3.28 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.356 1.063 . . . . 0.0 112.444 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -96.22 114.37 32.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.003 176.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -94.13 144.06 25.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.855 0.359 . . . . 0.0 110.332 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.412 HG22 ' HG3' ' A' ' 14' ' ' GLU . 52.0 mt -123.11 152.51 27.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.415 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -62.0 175.23 0.72 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.161 0.505 . . . . 0.0 111.835 -176.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -82.18 -55.35 4.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.534 -168.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -85.2 29.48 0.65 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.391 0.615 . . . . 0.0 110.436 -175.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.415 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 6.6 mm-40 -84.08 -24.5 30.33 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 121.11 0.481 . . . . 0.0 110.029 175.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.7 mt -73.9 122.9 23.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.051 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -87.04 101.68 13.69 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.533 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.9 mm -87.8 125.07 41.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.976 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p -121.89 138.56 54.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.532 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.56 132.31 40.83 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 176.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.528 HD11 ' HB2' ' A' ' 38' ' ' HIS . 26.6 mt -89.43 139.67 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.964 0.411 . . . . 0.0 110.499 179.831 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 75' ' ' GLN . . . . . . . . 0 N--CA 1.45 -0.461 0 N-CA-C 109.534 -0.543 . . . . 0.0 109.534 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.506 HG21 ' HA ' ' A' ' 84' ' ' ARG . 29.5 mm -100.04 127.46 52.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.222 0.534 . . . . 0.0 110.923 -176.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.528 ' HB2' HD11 ' A' ' 20' ' ' ILE . 57.5 t-80 -136.76 131.55 33.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.212 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.467 HD11 ' CD2' ' A' ' 91' ' ' LEU . 2.3 pt? -145.45 150.83 37.22 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.972 -0.455 . . . . 0.0 110.541 176.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -127.65 149.14 50.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.539 -179.687 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -125.48 113.84 18.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.858 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -101.18 151.66 21.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.797 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 43' ' ' ILE . 3.1 mp -70.95 -44.53 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.443 -176.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -76.53 0.74 18.84 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.094 0.474 . . . . 0.0 110.735 -176.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.72 -4.61 56.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.904 0.383 . . . . 0.0 110.268 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 t -155.74 -165.16 1.89 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.79 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -126.15 83.57 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.031 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.9 mt -76.16 154.26 84.45 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 120.541 0.21 . . . . 0.0 111.102 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.68 148.75 87.28 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.853 2.369 . . . . 0.0 111.807 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -56.8 -45.54 82.15 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -174.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -59.25 -43.5 92.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.978 0.418 . . . . 0.0 111.115 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.414 ' HE1' ' HB2' ' A' ' 98' ' ' LEU . 63.1 t80 -74.97 -46.61 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.718 -177.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 53' ' ' LYS . 36.2 ttpt -51.96 -50.46 61.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.128 -177.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -65.68 -41.53 92.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.575 -175.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -66.94 -23.59 65.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.902 -176.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.468 HD23 ' HG ' ' A' ' 98' ' ' LEU . 91.0 mt -63.65 -32.14 73.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.324 . . . . 0.0 110.976 176.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -86.4 -31.65 21.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.045 0.45 . . . . 0.0 110.365 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.8 m -71.63 -43.07 66.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.301 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.73 105.78 17.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.863 0.363 . . . . 0.0 110.412 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.1 t -78.99 67.54 4.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.548 0.69 . . . . 0.0 109.205 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -60.78 137.77 58.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -57.67 -31.65 66.55 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -167.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.579 HD12 HG21 ' A' ' 94' ' ' VAL . 49.8 mt -76.99 -6.97 54.72 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.476 ' CD1' HG12 ' A' ' 70' ' ' ILE . 36.7 mm -81.48 131.41 33.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 168.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.542 ' HB2' HD13 ' A' ' 71' ' ' ILE . 13.6 t -75.43 -71.62 0.35 Allowed 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.671 -0.812 . . . . 0.0 109.995 -174.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -165.26 -42.38 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.993 0.425 . . . . 0.0 110.692 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.64 -3.19 17.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.072 -176.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.83 3.5 45.93 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.365 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 p -102.15 143.99 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -175.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.476 HG12 ' CD1' ' A' ' 64' ' ' ILE . 4.3 mt -88.92 126.28 41.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.242 -177.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.542 HD13 ' HB2' ' A' ' 65' ' ' SER . 1.8 mp -114.42 119.5 61.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.769 0.319 . . . . 0.0 110.706 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 72' ' ' ILE . 4.5 mp -123.68 126.1 72.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.965 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.61 143.81 49.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 175.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.45 135.43 31.99 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.526 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.486 ' O ' ' HG3' ' A' ' 75' ' ' GLN . 19.4 pt20 -157.71 104.08 1.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.131 0.491 . . . . 0.0 110.825 -176.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -111.26 -53.55 2.69 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.157 0.503 . . . . 0.0 110.356 171.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -142.38 -171.84 3.48 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.79 11.88 5.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.852 0.358 . . . . 0.0 111.056 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.2 m -88.68 97.39 11.1 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.416 ' HA ' ' HB2' ' A' ' 83' ' ' ASN . 2.5 mp0 -70.48 -20.19 62.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.136 -174.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -57.73 -53.23 60.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.865 0.364 . . . . 0.0 110.512 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.865 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 4.1 pp -76.74 -32.34 57.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.172 0.51 . . . . 0.0 110.965 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.416 ' HB2' ' HA ' ' A' ' 80' ' ' GLN . 91.9 m-20 -61.33 -45.16 95.57 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.05 175.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.506 ' HA ' HG21 ' A' ' 37' ' ' ILE . 36.8 ttm180 -68.17 -48.4 65.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.693 -178.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.865 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 1.9 pt-20 -57.85 -38.91 76.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 -177.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.575 ' N ' ' HG3' ' A' ' 85' ' ' GLU . . . -67.47 -45.26 76.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.543 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.66 91.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.633 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 79.0 mt -63.95 -51.84 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.934 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.87 -39.69 78.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.802 0.334 . . . . 0.0 111.254 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.541 ' O ' HG23 ' A' ' 94' ' ' VAL . 7.6 mpt_? -63.37 -47.5 81.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.374 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.5 pp -66.38 -38.96 88.73 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.777 -176.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.534 HG12 ' HE2' ' A' ' 96' ' ' LYS . 88.7 t -61.86 -40.2 86.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.27 178.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.84 -46.71 88.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 175.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.579 HG21 HD12 ' A' ' 63' ' ' LEU . 71.8 t -60.79 -43.03 94.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.055 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 91' ' ' LEU . 65.6 mt -55.66 -34.3 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.547 176.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.534 ' HE2' HG12 ' A' ' 92' ' ' VAL . 52.6 mtmt -81.31 -28.29 34.66 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.73 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.2 -26.36 66.31 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.468 ' HG ' HD23 ' A' ' 56' ' ' LEU . 4.5 mm? -73.33 -17.07 61.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.808 0.337 . . . . 0.0 111.449 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.5 p -115.0 -52.6 2.69 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.042 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 171.74 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.3 m . . . . . 0 N--CA 1.464 0.253 0 CA-C-O 120.607 0.242 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 34.3 p -162.01 135.63 6.39 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.099 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.0 m -137.59 114.62 12.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.049 0.452 . . . . 0.0 111.114 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.868 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -122.24 132.94 54.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.319 178.387 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -150.03 148.38 28.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.059 175.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.9 tp -154.77 162.59 41.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.54 0.209 . . . . 0.0 110.555 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -155.78 -179.95 8.62 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -155.17 174.35 33.35 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.129 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -165.21 139.03 4.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 13.1 p -172.9 153.66 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -154.48 156.81 37.39 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -167.38 87.71 0.76 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.938 0.399 . . . . 0.0 110.571 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -96.18 128.07 0.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.515 2.81 . . . . 0.0 112.675 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 51.4 tp -146.93 131.74 18.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.032 0.444 . . . . 0.0 111.072 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -126.25 159.73 32.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 173.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.36 133.94 41.18 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -79.87 177.81 8.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.123 0.487 . . . . 0.0 111.563 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -148.08 139.83 23.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.085 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -135.11 87.24 2.32 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 174.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 . . . . . 0 C--N 1.324 -0.537 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.948 -176.888 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.573 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 3.5 mp -82.49 125.07 39.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.113 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.56 115.68 29.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.721 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.689 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 26.7 mm -99.58 164.79 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.436 ' N ' HG22 ' A' ' 4' ' ' ILE . 7.5 t -74.32 -177.24 2.95 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.538 ' HG2' HG22 ' A' ' 7' ' ' THR . 22.8 ttt180 67.65 -77.27 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.19 0.596 . . . . 0.0 110.92 -178.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.538 HG22 ' HG2' ' A' ' 6' ' ' ARG . 15.0 t -174.19 19.68 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.034 0.445 . . . . 0.0 111.057 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.689 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 18.4 t -99.57 144.99 11.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 122.198 -0.314 . . . . 0.0 110.828 -173.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.409 ' C ' HD12 ' A' ' 10' ' ' ILE . 17.7 m -148.25 149.65 32.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.043 0.449 . . . . 0.0 110.349 176.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.573 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.1 mp -124.48 127.92 73.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.743 -178.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.554 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -68.87 155.56 40.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.993 0.425 . . . . 0.0 110.947 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.46 -29.86 71.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.193 -174.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -86.78 -6.8 58.71 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.72 -174.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.554 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 12.7 mm-40 -75.14 -41.75 57.68 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 120.975 0.417 . . . . 0.0 110.727 -177.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.8 mt -85.33 143.67 28.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.757 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.534 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 45.7 mt-10 -83.0 112.18 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.241 178.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.7 mm -96.95 112.31 28.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 172.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.09 144.67 48.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.296 0.57 . . . . 0.0 112.1 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.5 127.69 33.56 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.604 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.9 mp -67.44 113.17 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.825 0.345 . . . . 0.0 110.157 -176.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 21' ' ' ARG . 4.2 tpt180 . . . . . 0 C--N 1.319 -0.738 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 176.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.67 ' HB2' ' HB3' ' A' ' 75' ' ' GLN . . . . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 120.848 0.356 . . . . 0.0 111.41 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.5 mm -113.0 121.81 65.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.522 177.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -112.74 127.13 56.06 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.603 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.5 pt? -136.78 149.2 47.66 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.877 0.37 . . . . 0.0 111.136 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -102.71 114.45 28.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.088 174.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.551 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 49.3 t80 -96.94 100.84 12.35 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 170.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -106.47 118.64 37.17 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.076 -170.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.4 mt -70.2 -44.17 78.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.951 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -59.39 -38.7 81.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.172 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.24 -15.89 58.35 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -177.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 p -107.93 176.35 5.17 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.286 0.565 . . . . 0.0 110.934 -177.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.52 56.83 0.5 Allowed Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.654 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.23 148.54 91.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.929 -0.136 . . . . 0.0 110.859 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.61 145.39 97.7 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.674 2.25 . . . . 0.0 111.376 176.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.86 -33.16 73.69 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -174.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -62.35 -33.67 75.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 111.205 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -79.0 -42.76 25.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.151 0.5 . . . . 0.0 109.927 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.95 -46.37 89.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.446 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 54' ' ' GLN . 18.0 mm-40 -61.6 -43.16 99.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.673 -177.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -60.22 -39.19 85.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.613 0.244 . . . . 0.0 111.424 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.519 HD23 ' HG ' ' A' ' 98' ' ' LEU . 95.3 mt -71.63 -28.63 63.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.482 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.4 mt -90.06 -26.64 20.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.744 -177.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.0 p -80.19 -48.53 12.99 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.231 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.16 111.6 15.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.627 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 m -77.22 76.76 3.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.27 0.557 . . . . 0.0 110.828 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.6 134.99 33.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.197 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -61.42 -12.46 14.59 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -175.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.38 -21.88 62.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.818 0.342 . . . . 0.0 110.451 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.607 HD13 HG12 ' A' ' 70' ' ' ILE . 36.1 mm -79.64 134.39 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 174.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.448 ' OG ' HD13 ' A' ' 71' ' ' ILE . 22.5 m -78.24 -79.26 0.13 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.21 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -153.43 -54.28 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.671 0.272 . . . . 0.0 111.508 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -79.6 -15.76 57.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.185 0.516 . . . . 0.0 111.32 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 120.42 16.92 4.53 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.124 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.96 144.22 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.607 HG12 HD13 ' A' ' 64' ' ' ILE . 42.0 mt -103.7 122.41 56.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.448 HD13 ' OG ' ' A' ' 65' ' ' SER . 1.7 mp -108.34 120.82 60.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.29 0.567 . . . . 0.0 110.46 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.603 ' HB ' HD21 ' A' ' 39' ' ' LEU . 4.9 mp -113.55 131.48 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.806 178.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -119.33 99.87 6.96 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.9 125.92 50.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.791 -175.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.67 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 10.2 pt20 -154.76 104.44 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.811 -178.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -117.62 -38.66 3.25 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.206 175.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.455 ' HB3' HD21 ' A' ' 82' ' ' LEU . 13.0 t80 -147.24 176.21 10.16 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -176.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -66.93 -21.46 65.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 111.039 176.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.427 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 14.1 m -73.02 104.94 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.47 -20.17 66.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.191 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -59.91 -53.5 57.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.087 0.47 . . . . 0.0 110.903 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' A' ' 77' ' ' PHE . 4.2 pp -72.33 -34.63 68.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.432 -178.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -61.92 -39.52 92.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.293 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.2 tpp180 -61.37 -51.55 68.34 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.752 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -57.14 -46.09 83.0 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.42 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 90' ' ' ARG . . . -60.85 -42.0 96.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.482 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.4 83.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.842 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.65 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 74.9 mt -66.86 -49.12 77.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.727 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.79 73.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.83 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -65.04 -44.16 89.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.16 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.3 pp -69.51 -34.85 74.88 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -178.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.524 ' HA ' HD12 ' A' ' 95' ' ' ILE . 66.6 t -65.6 -39.06 83.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.084 176.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -63.22 -38.37 90.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 175.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 90' ' ' ARG . 89.4 t -60.65 -41.74 89.25 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.079 175.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 92' ' ' VAL . 84.5 mt -55.15 -46.74 77.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.026 176.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -64.32 -43.81 93.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.941 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.578 ' HG2' ' HA ' ' A' ' 94' ' ' VAL . 9.0 pt-20 -74.46 -27.64 60.68 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.876 -176.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.519 ' HG ' HD23 ' A' ' 56' ' ' LEU . 4.0 mm? -82.81 -30.42 28.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.5 p -92.69 4.98 52.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.101 0.477 . . . . 0.0 110.817 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.499 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.409 178.099 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.662 0.268 . . . . 0.0 110.565 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.6 t -147.08 99.93 3.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.652 0.263 . . . . 0.0 110.837 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.2 88.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.069 0.461 . . . . 0.0 111.269 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -164.67 120.95 1.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -149.21 158.97 44.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.489 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.5 pp -158.41 128.57 6.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.168 0.509 . . . . 0.0 110.881 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -137.48 132.64 33.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.317 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 161.77 107.28 0.22 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 119.689 -1.243 . . . . 0.0 113.836 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -142.78 132.83 24.38 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 173.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.1 m -102.41 163.58 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.073 0.463 . . . . 0.0 111.843 -173.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.481 ' HA ' ' NE ' ' A' ' 136' ' ' ARG . 3.5 mmp_? -120.53 130.67 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.936 177.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -116.1 97.88 50.26 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -86.16 137.86 5.47 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 123.436 2.757 . . . . 0.0 112.474 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.8 mp -112.23 153.14 27.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.125 0.488 . . . . 0.0 110.762 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -116.49 130.89 57.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.26 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 5.7 tt -157.92 114.69 2.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.999 0.428 . . . . 0.0 110.949 -176.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -156.04 112.78 3.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.729 169.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -89.99 84.27 6.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -81.51 107.6 14.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.17 -175.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 . . . . . 0 C--N 1.325 -0.483 0 CA-C-O 120.977 0.418 . . . . 0.0 111.071 -175.562 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.0 ttp . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.604 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 34.6 mm -76.04 111.67 12.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.899 0.38 . . . . 0.0 110.3 -177.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.2 114.87 27.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.628 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.3 mm -99.52 160.98 3.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 8.4 t -64.03 147.79 51.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 5' ' ' SER . 0.1 OUTLIER 67.06 -167.08 0.21 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.455 -173.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 t -81.37 47.52 1.05 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.474 0.654 . . . . 0.0 111.514 -175.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.1 t -122.02 135.68 61.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.1 m -152.46 158.57 42.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.539 0.209 . . . . 0.0 110.687 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.604 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 40.3 mt -121.08 125.97 74.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.105 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.536 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -72.37 162.27 29.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.118 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -62.28 -44.13 97.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.299 -175.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -72.98 -15.99 61.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.536 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 14.0 mm-40 -80.16 -12.86 59.61 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 121.165 0.507 . . . . 0.0 110.768 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.518 HD21 HG13 ' A' ' 2' ' ' ILE . 96.8 mt -84.5 129.3 34.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.642 179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -85.32 94.99 9.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.009 0.433 . . . . 0.0 109.914 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.8 mm -95.15 123.92 47.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.932 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.88 147.72 46.63 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.8 137.99 31.88 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.591 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 50.6 mt -81.69 108.99 15.37 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 CA-C-O 120.996 0.427 . . . . 0.0 110.259 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 . . . . . 0 C--N 1.316 -0.852 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.525 179.195 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.591 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.532 HD11 ' HB3' ' A' ' 80' ' ' GLN . 44.6 mm -100.57 131.44 48.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.81 0.338 . . . . 0.0 111.49 -174.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.478 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 52.2 t-80 -138.52 119.29 14.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.937 176.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.7 pt? -129.28 149.84 50.91 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 177.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.542 ' HG3' HG13 ' A' ' 71' ' ' ILE . 35.4 ttp180 -132.33 151.78 51.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.143 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.433 ' HB3' HD11 ' A' ' 70' ' ' ILE . 88.1 t80 -151.58 129.74 11.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.944 0.402 . . . . 0.0 110.699 177.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -105.46 138.26 41.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.05 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.584 HG13 HD12 ' A' ' 48' ' ' LEU . 2.3 mp -63.14 -43.77 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.893 -178.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -29.36 70.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.437 -177.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.74 -45.68 91.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.1 m -102.31 -2.1 29.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -177.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.23 68.98 1.42 Allowed Glycine 0 C--N 1.319 -0.394 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.658 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.584 HD12 HG13 ' A' ' 43' ' ' ILE . 89.0 mt -75.37 149.11 84.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.606 0.241 . . . . 0.0 110.667 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.23 159.28 27.17 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.887 2.392 . . . . 0.0 112.302 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.533 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -66.28 -34.21 77.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.713 -176.333 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -56.49 -35.9 68.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.01 0.433 . . . . 0.0 110.89 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.47 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 88.3 m-85 -81.54 -50.14 9.73 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.215 176.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -55.0 -46.95 75.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.122 -174.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.4 mm100 -63.5 -40.63 97.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.569 0.223 . . . . 0.0 111.286 -176.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 79.6 mtt180 -74.98 -31.44 61.44 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.141 -0.224 . . . . 0.0 111.443 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.508 HD23 HD22 ' A' ' 98' ' ' LEU . 96.2 mt -67.32 -29.42 68.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.767 0.318 . . . . 0.0 110.862 177.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.7 mt -89.41 -28.47 19.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.562 -178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.427 ' OG1' ' HA ' ' A' ' 55' ' ' ARG . 11.9 p -80.79 -37.8 29.62 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.758 0.313 . . . . 0.0 111.382 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.08 88.44 6.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 120.94 0.4 . . . . 0.0 110.021 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -69.44 91.33 0.56 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.049 -177.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.34 152.11 24.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.21 173.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -78.63 -16.22 57.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.369 0.604 . . . . 0.0 109.665 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.6 mt -67.91 -20.03 65.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.152 170.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.468 ' CD1' HG22 ' A' ' 70' ' ' ILE . 13.7 mm -88.01 126.15 41.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.579 ' HB2' HD13 ' A' ' 71' ' ' ILE . 21.0 t -68.6 -77.78 0.07 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.663 -174.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -174.03 -44.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.742 0.306 . . . . 0.0 110.882 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -82.4 35.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.616 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.33 32.56 75.98 Favored Glycine 0 C--O 1.227 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 113.12 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.0 p -131.48 144.63 36.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 64' ' ' ILE . 27.6 pt -101.05 138.62 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 -177.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.579 HD13 ' HB2' ' A' ' 65' ' ' SER . 2.7 mp -132.83 120.3 40.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.913 0.387 . . . . 0.0 110.047 177.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.28 125.41 74.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.095 0.474 . . . . 0.0 110.201 175.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.578 ' HB2' HD11 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -119.51 150.82 39.61 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 171.492 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.08 155.79 34.69 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.308 0.575 . . . . 0.0 112.273 -174.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.447 ' O ' ' HG3' ' A' ' 75' ' ' GLN . 2.4 pt20 -153.94 101.67 2.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.715 173.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -108.48 -36.75 6.14 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.84 -177.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -170.86 164.99 7.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -174.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 78' ' ' ARG . 7.6 mmt180 -66.99 -1.88 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 m -91.96 90.6 7.49 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 171.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.532 ' HB3' HD11 ' A' ' 37' ' ' ILE . 24.7 mp0 -64.06 -25.3 68.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.846 -174.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.58 -47.06 83.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.122 0.487 . . . . 0.0 110.441 176.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -35.1 77.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.986 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.543 ' N ' HD22 ' A' ' 83' ' ' ASN . 0.8 OUTLIER -67.61 -36.69 81.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.182 0.515 . . . . 0.0 109.845 179.632 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 84' ' ' ARG . 12.8 ttm180 -63.0 -49.57 74.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.043 177.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -56.59 -42.7 79.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.34 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.16 98.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.26 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.94 96.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.753 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.617 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 93.6 mt -65.12 -51.0 71.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.825 177.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.81 -36.61 72.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 94' ' ' VAL . 23.7 tpt180 -57.44 -52.07 66.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.096 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.1 pp -67.07 -38.74 86.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.864 -175.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.3 t -62.57 -44.07 99.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.524 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -61.69 -45.7 92.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 90' ' ' ARG . 82.7 t -57.11 -46.08 84.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.093 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 91' ' ' LEU . 84.6 mt -58.6 -45.88 90.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.817 0.341 . . . . 0.0 110.553 178.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -69.52 -19.89 63.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.786 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 8.5 mm-40 -75.93 -48.95 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.034 0.445 . . . . 0.0 110.467 176.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.508 HD22 HD23 ' A' ' 56' ' ' LEU . 11.1 mp -71.21 -40.81 70.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.166 -177.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.8 p -108.63 42.11 1.46 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.042 0.449 . . . . 0.0 111.212 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.813 177.076 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.9 t . . . . . 0 C--O 1.234 0.275 0 CA-C-O 120.991 0.424 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 32.2 m -143.49 108.07 4.85 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 4.8 p -131.82 88.93 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 122.145 0.974 . . . . 0.0 111.832 -176.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.415 ' HE3' ' HB3' ' A' ' 129' ' ' LYS . 27.7 mtpp -138.77 91.71 2.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.881 174.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -122.8 128.35 50.32 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.22 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.441 HD23 ' H ' ' A' ' 131' ' ' LEU . 2.3 pt? -132.36 147.0 52.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.996 0.427 . . . . 0.0 110.337 -178.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.767 ' HA ' ' HE ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -118.94 141.13 48.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.214 -179.024 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -110.36 -159.47 17.11 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.034 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.538 ' O ' ' HD2' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -149.61 127.26 11.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.262 0.554 . . . . 0.0 110.772 177.526 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 42.2 t -101.35 85.48 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.451 0.644 . . . . 0.0 110.086 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -162.07 111.79 1.52 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.385 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -149.29 89.71 4.78 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.327 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -92.64 157.61 2.91 Favored 'Trans proline' 0 N--CA 1.448 -1.173 0 C-N-CA 123.195 2.596 . . . . 0.0 111.683 174.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.8 mp -98.44 126.58 44.03 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -72.26 137.29 46.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.98 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 5.4 tt -78.3 95.9 5.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.19 0.519 . . . . 0.0 109.856 -177.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -99.28 94.22 6.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.007 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -135.56 104.0 5.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.181 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -65.47 171.72 3.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.233 176.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 63.9 m80 . . . . . 0 C--N 1.324 -0.501 0 CA-C-O 121.122 0.487 . . . . 0.0 112.152 -175.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptm . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.541 HD11 HD11 ' A' ' 15' ' ' LEU . 4.4 mp -91.99 122.03 43.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.988 -176.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.54 108.07 20.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.677 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.494 ' HB ' ' O ' ' A' ' 8' ' ' VAL . 42.1 mm -95.8 159.87 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -65.91 -178.99 0.65 Allowed 'General case' 0 C--O 1.239 0.545 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -175.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 69.91 -76.91 0.06 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.019 -177.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.6 t -178.55 24.27 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.946 0.403 . . . . 0.0 110.798 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.494 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 44.5 t -116.76 117.26 54.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.613 0.244 . . . . 0.0 110.949 -174.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 m -115.39 150.47 36.32 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 174.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.63 130.28 74.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.97 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.469 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -68.18 129.67 40.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.513 178.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -75.94 -13.19 60.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.252 0.549 . . . . 0.0 110.393 -178.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -74.8 -12.42 60.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.39 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.469 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 19.3 mm-40 -87.55 -9.65 53.82 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.353 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.541 HD11 HD11 ' A' ' 2' ' ' ILE . 85.5 mt -77.07 143.75 39.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.188 0.518 . . . . 0.0 111.79 -173.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.657 ' HB2' ' HB2' ' A' ' 40' ' ' ARG . 45.9 mt-10 -91.47 109.02 20.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.252 175.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.8 mm -89.95 127.91 42.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.08 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.13 147.51 50.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.281 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.06 149.15 21.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.084 177.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.3 mm -87.41 127.02 41.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.107 0.479 . . . . 0.0 110.452 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.003 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 75' ' ' GLN . . . . . . . . 0 N--CA 1.449 -0.51 0 CA-C-O 120.861 0.362 . . . . 0.0 111.428 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.488 HD11 ' HG3' ' A' ' 80' ' ' GLN . 25.7 mm -100.61 120.45 50.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.656 176.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -118.15 107.44 13.97 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.458 174.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.692 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.7 pt? -112.09 149.44 32.11 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.469 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.657 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 79.0 mtp180 -108.14 114.82 29.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.615 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -115.32 101.57 9.06 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 173.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.474 ' HB3' HG23 ' A' ' 69' ' ' VAL . 7.7 p-10 -110.33 140.87 44.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.791 0.805 . . . . 0.0 111.954 -173.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.818 HG13 HD12 ' A' ' 48' ' ' LEU . 2.5 mp -73.68 -40.62 54.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.166 178.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -44.27 -48.22 9.46 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.954 -175.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.43 -20.27 28.42 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -176.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 p -94.94 178.81 5.44 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 121.149 0.5 . . . . 0.0 111.063 -174.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.05 60.2 0.56 Allowed Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.675 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.818 HD12 HG13 ' A' ' 43' ' ' ILE . 92.5 mt -76.25 147.39 79.5 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-O 120.545 0.212 . . . . 0.0 110.516 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -56.43 131.49 46.07 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.888 2.392 . . . . 0.0 111.564 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.586 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 44.0 tt0 -63.38 -30.97 72.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.413 -173.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -57.68 -40.21 78.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.624 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.445 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 5.4 m-85 -81.0 -38.25 27.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.157 0.503 . . . . 0.0 110.001 176.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.586 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 87.7 tttt -54.97 -48.29 73.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.556 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.425 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 16.0 mm-40 -61.87 -42.7 99.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.366 -178.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -59.67 -43.0 94.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.989 177.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.502 ' HA ' HD23 ' A' ' 98' ' ' LEU . 83.4 mt -63.23 -39.38 94.45 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.044 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.0 mt -78.27 -14.93 59.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.609 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.8 m -92.42 -49.26 6.23 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.529 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.439 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . . . -97.5 96.4 8.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.953 0.406 . . . . 0.0 111.723 -175.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.4 t -77.89 79.31 4.37 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 173.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.491 ' O ' ' HB2' ' A' ' 62' ' ' HIS . 2.8 t60 -64.14 -43.83 94.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.874 -176.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 61' ' ' HIS . 66.6 t60 173.56 -40.72 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.862 0.726 . . . . 0.0 110.391 174.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.432 HD13 HG13 ' A' ' 72' ' ' ILE . 82.8 mt -78.16 -13.89 59.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.746 -176.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.1 mm -84.25 125.23 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -86.69 -85.02 0.17 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.095 -178.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -161.07 -54.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.578 0.228 . . . . 0.0 111.027 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -61.75 -15.94 45.26 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.344 -174.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.59 39.83 2.31 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -173.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.474 HG23 ' HB3' ' A' ' 42' ' ' ASP . 7.1 p -128.87 143.38 41.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 43.3 mt -105.99 118.45 53.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.915 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.9 mp -106.12 117.73 52.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.121 0.486 . . . . 0.0 110.419 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.692 ' HB ' HD21 ' A' ' 39' ' ' LEU . 4.5 mp -114.39 125.26 71.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 37' ' ' ILE . 6.1 ptmm? -119.34 129.73 55.0 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -126.28 123.5 38.23 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.347 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.497 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 3.1 pt20 -157.2 102.22 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -144.63 -43.84 0.24 Allowed 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.423 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -128.34 173.17 10.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.359 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.846 ' HG2' ' H ' ' A' ' 79' ' ' SER . 16.9 ttp180 -90.93 -164.4 1.17 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.846 ' H ' ' HG2' ' A' ' 78' ' ' ARG . 23.8 m 68.44 82.33 0.17 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.434 0.635 . . . . 0.0 109.965 -176.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.488 ' HG3' HD11 ' A' ' 37' ' ' ILE . 1.3 mp0 -59.4 -16.33 22.4 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.804 -172.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -56.79 -50.16 73.17 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 120.864 0.364 . . . . 0.0 110.719 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 79' ' ' SER . 4.0 pp -76.47 -34.47 58.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.332 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -57.44 -41.92 81.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.417 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -61.88 -52.45 64.05 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.3 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -60.7 -41.87 96.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.782 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.471 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -62.47 -38.98 91.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.031 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.85 99.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.975 0.417 . . . . 0.0 110.384 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.648 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 76.9 mt -64.09 -47.95 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.591 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.79 -39.25 77.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.471 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 6.2 mpt_? -59.69 -48.37 81.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.747 177.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.8 pp -69.55 -34.86 74.81 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.784 -176.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 88' ' ' ILE . 93.7 t -62.04 -44.48 99.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.935 178.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.84 96.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.59 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 90' ' ' ARG . 90.8 t -59.94 -39.42 80.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.961 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 91' ' ' LEU . 83.5 mt -57.2 -41.18 77.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.688 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -67.54 -32.68 73.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.314 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.5 -34.19 73.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.841 0.353 . . . . 0.0 111.455 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' ' 56' ' ' LEU . 11.3 mp -89.49 -8.34 53.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.913 -176.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.9 p -102.0 -56.26 2.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.012 0.434 . . . . 0.0 110.625 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.501 176.462 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.733 0.301 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.5 m -152.61 97.12 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.14 114.13 2.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.139 0.495 . . . . 0.0 111.622 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -153.2 136.11 15.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.796 176.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -154.33 155.08 34.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.664 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.7 pp -158.99 165.67 33.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.71 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -171.8 144.86 1.84 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.767 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.38 127.7 1.69 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.068 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -149.14 133.86 17.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.712 0.256 . . . . 0.0 110.639 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 6.6 p -153.0 123.85 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.984 0.421 . . . . 0.0 110.773 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -132.35 178.2 7.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.021 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -146.62 150.01 38.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.051 -178.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.67 -171.44 0.32 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.966 2.444 . . . . 0.0 111.867 175.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 40.6 tp -141.09 118.58 11.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.892 0.377 . . . . 0.0 111.343 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -88.98 121.38 31.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.723 175.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.8 mt -128.61 164.92 21.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.855 0.359 . . . . 0.0 111.19 -176.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.84 168.38 13.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.677 174.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -160.57 117.56 2.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.139 0.495 . . . . 0.0 110.448 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -74.54 144.24 44.14 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.987 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 7.1 p80 . . . . . 0 C--N 1.319 -0.724 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 175.925 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 3.7 mp -92.84 97.07 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.42 102.67 14.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.138 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.57 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 18.4 mm -84.17 154.6 3.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 176.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -72.27 168.09 19.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.11 0.481 . . . . 0.0 111.146 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.438 ' HG2' HG22 ' A' ' 7' ' ' THR . 40.4 ttm180 69.7 -76.17 0.06 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.679 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.438 HG22 ' HG2' ' A' ' 6' ' ' ARG . 11.1 t -161.57 20.02 0.11 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -170.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.57 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 22.3 t -120.3 145.76 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 121.833 -0.542 . . . . 0.0 110.514 -177.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -154.54 151.73 29.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 173.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 mp -126.07 139.34 51.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 146.53 53.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.191 0.52 . . . . 0.0 111.429 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.53 -43.02 99.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.922 -171.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -87.38 10.33 17.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.874 0.368 . . . . 0.0 111.572 -173.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -89.61 -0.45 57.53 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 120.778 0.323 . . . . 0.0 111.215 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.9 mt -80.78 145.72 31.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -93.4 114.27 26.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.187 174.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -109.86 114.85 48.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.115 -176.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.89 149.74 31.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.059 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.2 150.55 20.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.158 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.8 mt -104.31 129.6 56.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.768 0.318 . . . . 0.0 110.351 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.4 -177.812 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.658 0 CA-C-O 121.033 0.444 . . . . 0.0 110.548 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 80' ' ' GLN . 46.9 mm -100.33 129.54 50.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.398 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -118.87 112.39 19.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.005 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.455 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.1 pt? -125.63 149.91 48.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.943 0.401 . . . . 0.0 110.679 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -127.12 140.27 52.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.027 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -134.68 112.75 11.04 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.5 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.517 ' HB3' HG23 ' A' ' 69' ' ' VAL . 5.9 p-10 -112.02 162.07 15.78 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.967 0.413 . . . . 0.0 110.76 -178.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 68' ' ' GLY . 35.1 mt -56.22 -44.47 79.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.508 -179.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -68.34 -13.25 62.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.835 -173.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.74 -5.39 55.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.954 0.407 . . . . 0.0 111.4 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -155.67 -163.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.276 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.52 61.17 0.56 Allowed Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.455 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 86.0 mt -66.59 143.91 98.38 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.598 0.237 . . . . 0.0 110.941 -176.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 24.9 Cg_exo -62.96 143.35 90.97 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.484 2.123 . . . . 0.0 111.561 177.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.466 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 13.8 pt-20 -59.66 -29.25 67.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.363 -176.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.47 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 89.5 m-85 -62.32 -34.22 76.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.79 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.571 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 25.8 m-85 -81.57 -42.79 19.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.708 176.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.466 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 12.1 tmtt? -56.83 -43.56 81.19 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.716 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -63.95 -45.89 87.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.714 0.292 . . . . 0.0 111.264 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.524 ' HD3' ' O ' ' A' ' 98' ' ' LEU . 72.7 mtt180 -66.54 -24.71 66.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.672 -177.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 52' ' ' TYR . 95.5 mt -61.01 -31.52 71.13 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.021 0.439 . . . . 0.0 111.059 177.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -91.35 -22.3 20.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.375 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.519 ' OG1' ' HA ' ' A' ' 55' ' ' ARG . 34.7 p -86.78 -39.3 16.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.74 0.305 . . . . 0.0 111.441 -177.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.533 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . . . -95.9 87.65 4.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.984 0.421 . . . . 0.0 110.933 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 m -60.73 130.96 49.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.507 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.7 158.71 43.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.419 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -69.22 0.44 4.85 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.811 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.488 HD12 HG21 ' A' ' 94' ' ' VAL . 93.2 mt -104.75 -8.3 18.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.061 0.458 . . . . 0.0 110.846 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.3 mm -89.59 134.69 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.346 -178.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.413 ' OG ' HD13 ' A' ' 71' ' ' ILE . 28.0 m -90.8 -63.76 1.22 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.65 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -158.77 -75.72 0.08 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -177.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -99.47 60.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.304 0.573 . . . . 0.0 111.708 -169.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.437 ' O ' HG13 ' A' ' 43' ' ' ILE . . . 72.41 38.59 58.1 Favored Glycine 0 C--N 1.322 -0.202 0 CA-C-N 115.393 -0.821 . . . . 0.0 113.667 171.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.517 HG23 ' HB3' ' A' ' 42' ' ' ASP . 9.0 p -120.96 142.29 37.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 173.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.5 mp -112.41 117.4 55.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.979 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.413 HD13 ' OG ' ' A' ' 65' ' ' SER . 1.8 mp -107.91 121.21 60.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.856 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.1 mp -115.36 131.81 66.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 37' ' ' ILE . 14.6 pttp -119.58 131.46 55.52 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 171.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.708 ' HB2' ' HB2' ' A' ' 87' ' ' ALA . . . -115.7 133.01 56.46 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.37 -176.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -153.57 104.12 2.7 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.659 0.742 . . . . 0.0 109.588 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.514 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 40.1 tt0 -112.11 -79.18 0.58 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.846 178.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.514 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 68.0 m-85 -120.23 -84.86 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.422 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 39.7 ttm-85 -154.49 4.81 0.25 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.696 -176.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 m -98.23 97.23 8.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.856 0.36 . . . . 0.0 110.783 -176.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.484 ' HB3' HD11 ' A' ' 37' ' ' ILE . 26.0 mp0 -56.31 -41.93 76.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.772 -175.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 44.2 tt0 -59.03 -55.26 37.47 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -175.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 pp -72.05 -31.02 65.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.769 0.318 . . . . 0.0 110.279 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.64 -41.03 98.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.929 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -60.04 -54.51 45.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.464 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 81' ' ' GLU . 16.9 mm-40 -57.69 -38.77 75.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.408 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.526 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -65.37 -39.37 92.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.889 177.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.708 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . . . -62.7 -37.21 85.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.97 0.414 . . . . 0.0 110.376 177.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.672 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 74.7 mt -64.47 -48.61 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.181 175.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.33 -34.8 74.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 177.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.526 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 7.6 mpt_? -58.32 -50.93 71.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.319 176.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 4.0 pp -68.05 -34.13 75.88 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.463 -176.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 88' ' ' ILE . 85.2 t -60.15 -44.38 95.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.697 175.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.517 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -63.95 -39.66 94.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.643 178.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.488 HG21 HD12 ' A' ' 63' ' ' LEU . 71.2 t -60.66 -41.82 89.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.502 177.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 91' ' ' LEU . 91.4 mt -55.42 -41.65 63.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.716 176.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -71.15 -28.62 64.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.18 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' A' ' 93' ' ' ALA . 87.3 mt-10 -70.24 -37.79 75.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.989 0.423 . . . . 0.0 110.573 177.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.533 ' HG ' ' HB3' ' A' ' 59' ' ' ALA . 11.1 mp -80.01 -38.43 32.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.245 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -89.83 18.57 5.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.465 0.65 . . . . 0.0 110.679 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.538 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.579 -178.734 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 61.0 m . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.765 0.316 . . . . 0.0 110.573 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.1 m -164.21 95.51 0.76 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.208 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 128' ' ' VAL . 5.8 p -159.28 86.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.789 0.804 . . . . 0.0 111.513 177.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -159.91 114.12 2.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.782 173.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -171.66 89.12 0.11 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.325 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.3 tp -144.45 87.79 1.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.143 0.497 . . . . 0.0 111.29 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -162.41 98.41 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.572 171.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -158.53 124.07 1.34 Allowed Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -152.18 141.77 21.77 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 26.9 m -70.95 137.1 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.692 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.675 ' HD2' ' O ' ' A' ' 136' ' ' ARG . 1.5 ppt_? -154.69 133.0 11.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.612 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -171.95 117.6 0.42 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.988 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -85.94 149.75 9.62 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.625 2.217 . . . . 0.0 111.673 174.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.6 mp -121.1 105.27 10.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.09 0.471 . . . . 0.0 110.897 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -97.99 7.19 46.72 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.46 103.08 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.403 -176.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -167.17 111.42 0.72 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.502 175.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -118.83 100.19 7.24 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.629 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -72.93 83.27 1.22 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.309 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 38.2 t60 . . . . . 0 C--N 1.323 -0.559 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.916 -175.647 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.5 ttp . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 57.7 mt -81.85 119.96 32.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.271 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.42 122.66 32.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.873 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.694 ' HB ' HG13 ' A' ' 8' ' ' VAL . 24.2 mm -101.21 166.43 2.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.541 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 42.2 m -55.48 148.6 15.13 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.541 ' HB2' ' O ' ' A' ' 5' ' ' SER . 8.5 mpt_? 71.05 -164.49 0.14 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -167.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.9 t -90.45 5.16 48.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.849 0.356 . . . . 0.0 111.714 -176.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.694 HG13 ' HB ' ' A' ' 4' ' ' ILE . 9.1 p -78.48 144.75 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.014 0.435 . . . . 0.0 110.719 -178.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -147.12 155.9 42.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.762 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.0 mt -125.69 135.39 64.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.162 -178.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.495 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -81.6 136.84 35.55 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.267 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -66.9 -20.04 65.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.084 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -71.75 -23.11 61.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.447 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.495 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 46.3 mt-10 -78.08 -16.14 58.28 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.032 -179.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -83.04 124.43 30.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.096 0.474 . . . . 0.0 111.031 -177.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -83.1 103.62 12.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.462 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 35.5 mm -98.16 130.42 46.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.198 -177.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.84 149.89 50.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 -178.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.27 129.71 44.55 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 38' ' ' HIS . 36.9 mt -104.45 126.45 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.066 169.184 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mm -99.15 127.01 52.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-O 121.071 0.462 . . . . 0.0 110.633 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.59 ' HB2' HD11 ' A' ' 20' ' ' ILE . 45.1 t-80 -103.62 125.57 50.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.073 177.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.747 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.5 pt? -132.5 144.77 50.67 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.495 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 39.2 ptt85 -138.7 154.61 48.59 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.963 178.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -152.56 118.49 5.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.725 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.98 81.43 8.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.729 0.775 . . . . 0.0 110.756 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.563 HG23 ' HB2' ' A' ' 48' ' ' LEU . 54.6 mt -56.01 -42.45 71.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.964 178.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.605 ' HB2' ' HA3' ' A' ' 68' ' ' GLY . 41.0 ttt85 -56.48 -24.85 48.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.26 178.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.0 -54.17 3.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.652 0.263 . . . . 0.0 111.345 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -143.19 149.46 38.03 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-O 120.681 0.277 . . . . 0.0 111.518 -175.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.39 -95.42 0.58 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.896 -0.668 . . . . 0.0 114.318 167.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.563 ' HB2' HG23 ' A' ' 43' ' ' ILE . 95.4 mt -75.89 155.39 84.86 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -171.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.581 ' HD3' HG21 ' A' ' 8' ' ' VAL . 31.3 Cg_exo -60.76 153.18 64.36 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.97 2.447 . . . . 0.0 111.718 176.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.577 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 43.9 mt-10 -68.84 -18.81 64.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.88 -174.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.448 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 44.6 m-85 -57.97 -53.47 57.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.791 0.329 . . . . 0.0 110.281 173.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.46 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 54.5 m-85 -65.11 -45.02 86.86 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.492 175.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.577 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 39.6 ttmt -51.06 -52.3 44.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.967 -176.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -61.7 -41.78 98.06 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -176.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 22.7 mmt180 -67.76 -32.23 72.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.713 0.292 . . . . 0.0 111.199 -178.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.471 HD23 ' HG ' ' A' ' 98' ' ' LEU . 66.0 mt -66.08 -34.46 78.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 57' ' ' LEU . 4.3 mm? -82.96 -44.21 15.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.6 p -66.92 -37.52 84.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.377 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.39 83.41 2.82 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 174.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.7 m -69.59 92.12 0.63 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.634 0.73 . . . . 0.0 110.305 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . 0.402 ' C ' ' H ' ' A' ' 63' ' ' LEU . 1.9 t60 -85.12 15.31 4.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.616 -175.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.0 t60 71.9 -33.99 0.29 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.968 0.907 . . . . 0.0 111.65 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.402 ' H ' ' C ' ' A' ' 61' ' ' HIS . 92.7 mt -63.37 -25.4 68.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.275 0.559 . . . . 0.0 110.376 174.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.0 mm -75.09 124.71 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 169.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.456 ' HB2' HG13 ' A' ' 69' ' ' VAL . 16.1 m -74.79 -64.21 1.09 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -168.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -149.25 -81.64 0.12 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.88 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -105.39 61.73 0.68 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.553 0.692 . . . . 0.0 110.878 -172.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.605 ' HA3' ' HB2' ' A' ' 44' ' ' ARG . . . 75.37 31.53 56.82 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.241 -0.891 . . . . 0.0 113.481 174.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.456 HG13 ' HB2' ' A' ' 65' ' ' SER . 12.0 p -125.59 144.07 36.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.495 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 33.3 pt -109.54 129.69 63.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.905 0.383 . . . . 0.0 111.135 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.409 HG13 ' HB3' ' A' ' 40' ' ' ARG . 1.7 mp -122.98 117.04 50.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.747 ' HB ' HD21 ' A' ' 39' ' ' LEU . 4.7 mp -114.45 147.86 17.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.134 -177.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -119.14 151.6 38.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.85 0.357 . . . . 0.0 110.164 173.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.23 137.2 12.52 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.933 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -166.84 104.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.608 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -109.61 -29.35 8.41 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.144 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -155.34 -173.57 4.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -69.77 -28.73 66.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.624 0.25 . . . . 0.0 110.385 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.4 m -59.64 109.5 0.93 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.772 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.507 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 23.8 mp0 -61.41 -41.56 97.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.396 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -54.6 -50.71 67.39 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.488 -176.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.663 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -68.68 -33.24 73.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.68 -178.22 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.84 -35.01 74.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.757 0.313 . . . . 0.0 110.466 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 33.6 mtp-105 -68.28 -48.01 66.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.245 175.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.663 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -64.46 -34.21 77.67 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.644 -177.416 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.42 ' O ' ' HD2' ' A' ' 90' ' ' ARG . . . -67.79 -40.22 83.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.518 177.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.473 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -61.43 -42.94 99.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 177.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.702 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.2 mt -61.38 -49.56 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.742 176.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.4 -35.56 79.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.197 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.493 ' O ' HG23 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -63.32 -40.14 96.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.638 178.04 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.5 pp -72.81 -34.13 66.66 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.155 -179.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 88' ' ' ILE . 95.4 t -62.63 -37.25 78.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.113 0.483 . . . . 0.0 109.808 174.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -61.79 -41.19 97.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.037 176.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.549 ' HA ' ' OE1' ' A' ' 97' ' ' GLU . 44.0 t -64.38 -45.31 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.497 177.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 86.9 mt -55.06 -44.96 76.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.273 0.559 . . . . 0.0 110.375 175.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -62.01 -30.29 70.85 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.495 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.549 ' OE1' ' HA ' ' A' ' 94' ' ' VAL . 53.4 mt-10 -66.56 -44.06 83.33 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.878 0.371 . . . . 0.0 111.164 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.471 ' HG ' HD23 ' A' ' 56' ' ' LEU . 4.4 mm? -67.77 -34.15 76.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.888 -174.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 p -84.05 -11.16 57.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.761 0.315 . . . . 0.0 111.54 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 175.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.4 p . . . . . 0 N--CA 1.451 -0.377 0 CA-C-O 121.084 0.468 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 32.5 t -120.68 128.1 52.66 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 5.9 m -133.98 114.37 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -172.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -163.19 82.49 0.48 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.069 172.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -89.06 101.04 13.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.442 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.0 tt -156.16 126.88 6.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.148 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -150.79 173.95 13.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.921 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 159.76 100.85 0.17 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.263 -0.97 . . . . 0.0 113.02 178.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -163.05 154.51 17.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.78 0.324 . . . . 0.0 110.372 176.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 11.5 p -143.35 143.5 24.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -119.97 171.29 8.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.996 0.427 . . . . 0.0 111.471 -177.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -117.27 137.68 24.23 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.493 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.29 148.04 48.57 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.59 2.193 . . . . 0.0 111.864 175.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 8.8 tt -91.6 133.19 35.77 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -178.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -114.34 146.04 41.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.555 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.2 pp -160.76 150.53 17.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.55 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -136.22 104.74 5.75 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 171.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -117.16 98.37 6.41 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.118 0.485 . . . . 0.0 110.293 -175.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -106.87 157.62 17.62 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.449 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 . . . . . 0 C--N 1.323 -0.574 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.925 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.3 ptm . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 3.3 mp -89.51 124.23 42.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.63 127.43 47.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.043 -178.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.783 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 27.0 mm -109.3 165.5 5.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.443 ' N ' HG22 ' A' ' 4' ' ' ILE . 9.9 p -64.57 170.6 3.88 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 120.785 0.326 . . . . 0.0 111.592 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 69.89 -78.87 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.946 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -173.16 21.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.055 0.455 . . . . 0.0 110.728 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.783 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 25.2 t -91.34 144.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -176.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 m -142.91 150.87 40.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.766 0.317 . . . . 0.0 110.609 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 66.9 mt -127.38 143.98 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.757 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.542 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -66.08 138.68 57.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.149 0.499 . . . . 0.0 111.092 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 24.2 t70 -65.01 -27.49 68.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.363 -177.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -81.44 -3.71 53.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.786 -176.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.542 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 52.9 mm-40 -84.06 -48.74 9.58 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -177.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.41 HD12 HG12 ' A' ' 2' ' ' ILE . 66.0 mt -77.02 145.96 37.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -175.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 44.0 mt-10 -79.66 97.21 6.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.961 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.4 mm -88.73 112.2 23.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.96 151.33 48.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.921 0.391 . . . . 0.0 111.214 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.21 150.66 27.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.044 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.648 HG12 ' HB2' ' A' ' 38' ' ' HIS . 26.2 mt -85.99 94.88 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.29 0.567 . . . . 0.0 112.33 -175.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 . . . . . 0 C--N 1.313 -1.004 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 166.737 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.527 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 32.5 mm -101.66 128.92 53.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.253 0.549 . . . . 0.0 111.94 -174.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.648 ' HB2' HG12 ' A' ' 20' ' ' ILE . 46.9 t-80 -122.71 111.7 17.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.648 175.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.531 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.7 pt? -124.86 149.91 47.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.042 0.448 . . . . 0.0 110.372 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -103.04 146.0 29.03 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.109 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.44 ' HB3' ' CG1' ' A' ' 70' ' ' ILE . 73.4 t80 -145.81 103.81 3.8 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 172.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -111.91 161.03 16.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.047 0.451 . . . . 0.0 111.345 -175.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.608 HG21 HD21 ' A' ' 57' ' ' LEU . 3.6 mp -76.11 -42.61 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.099 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.7 ttt85 -59.67 -25.33 64.65 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.347 -171.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.17 -28.83 68.25 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.7 0.286 . . . . 0.0 110.956 175.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.0 t 65.6 -174.24 0.18 Allowed 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 123.662 0.785 . . . . 0.0 111.078 178.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.1 -43.94 1.47 Allowed Glycine 0 C--N 1.314 -0.656 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.232 -176.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.52 147.91 82.46 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.568 -0.316 . . . . 0.0 110.38 176.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.496 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 19.6 Cg_endo -62.32 159.16 36.7 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.677 2.252 . . . . 0.0 111.55 175.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.604 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 3.6 mp0 -50.78 -46.31 59.47 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.302 0.376 . . . . 0.0 110.132 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -50.32 -42.0 52.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.391 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.407 ' CE2' HG21 ' A' ' 99' ' ' THR . 16.3 m-85 -82.83 -49.86 9.25 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 49' ' ' PRO . 55.2 pttt -70.69 -32.45 69.69 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -172.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -64.1 -35.27 80.22 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.59 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.493 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 8.8 mmt180 -62.58 -25.05 67.88 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 176.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.474 HD13 HG13 ' A' ' 43' ' ' ILE . 81.7 mt -71.02 -28.8 64.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.821 0.343 . . . . 0.0 111.124 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.608 HD21 HG21 ' A' ' 43' ' ' ILE . 3.4 mm? -90.3 -37.59 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.837 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.493 ' OG1' ' HA ' ' A' ' 55' ' ' ARG . 7.4 p -73.93 -45.61 49.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.685 -177.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.11 79.8 7.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.154 0.502 . . . . 0.0 110.457 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.7 m -68.96 89.37 0.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.733 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.51 165.3 22.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.168 176.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -73.53 -23.53 60.02 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 173.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.01 -23.46 67.46 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.742 174.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.499 HD13 HG22 ' A' ' 70' ' ' ILE . 24.2 mm -70.59 124.27 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 169.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.513 ' HB2' HD13 ' A' ' 71' ' ' ILE . 12.0 m -106.19 -77.54 0.59 Allowed 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -163.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -76.53 -71.08 0.41 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.016 0.436 . . . . 0.0 110.569 -172.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -143.84 -68.67 0.33 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.462 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -121.56 36.61 3.2 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.399 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 p -145.16 144.26 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.499 HG22 HD13 ' A' ' 64' ' ' ILE . 43.5 pt -100.51 133.97 41.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.063 0.459 . . . . 0.0 109.884 174.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.513 HD13 ' HB2' ' A' ' 65' ' ' SER . 1.7 mp -105.94 111.97 37.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 174.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.521 ' HB ' HD21 ' A' ' 39' ' ' LEU . 49.9 mm -98.87 116.4 41.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.541 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -101.68 102.95 13.71 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.685 0.755 . . . . 0.0 110.39 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.527 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -98.37 124.47 43.05 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.394 -175.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -153.34 102.11 2.58 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.121 -176.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -104.21 -67.27 0.91 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.737 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -178.46 85.14 0.02 OUTLIER 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.718 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.412 ' HG2' ' H ' ' A' ' 79' ' ' SER . 62.5 ttt180 62.9 176.09 0.15 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.966 176.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.412 ' H ' ' HG2' ' A' ' 78' ' ' ARG . 16.2 m 69.67 111.13 0.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.541 0.686 . . . . 0.0 111.673 175.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -66.17 -26.82 67.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.043 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -58.87 -56.38 22.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.797 0.332 . . . . 0.0 111.856 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 pp -76.07 -36.04 59.16 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.258 0.551 . . . . 0.0 110.6 -174.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.514 ' HB3' HG12 ' A' ' 37' ' ' ILE . 33.1 m-20 -64.9 -34.47 78.47 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.286 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -66.91 -44.17 81.43 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.315 175.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.34 -41.42 97.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.61 -44.39 97.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.273 176.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.432 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . . . -58.24 -49.11 78.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.862 177.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.527 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 85.4 mt -59.65 -52.37 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.886 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.83 -38.72 79.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.689 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 94' ' ' VAL . 26.3 mmm180 -73.16 -35.95 66.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.758 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 2.6 pp -73.95 -36.05 64.59 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.365 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.569 HG12 ' HE2' ' A' ' 96' ' ' LYS . 58.7 t -68.72 -32.2 53.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 176.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.529 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . . . -58.65 -41.3 85.73 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.759 175.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 90' ' ' ARG . 16.8 t -58.51 -40.21 77.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.11 0.481 . . . . 0.0 110.41 176.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 92' ' ' VAL . 65.5 mt -58.86 -36.18 59.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.62 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.569 ' HE2' HG12 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -71.62 -36.71 70.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.936 176.597 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.39 -35.15 79.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.798 0.333 . . . . 0.0 111.685 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.476 ' O ' ' HD2' ' A' ' 55' ' ' ARG . 10.9 mp -79.41 -37.31 37.49 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -176.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.407 HG21 ' CE2' ' A' ' 52' ' ' TYR . 24.7 p -94.96 -33.69 12.66 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -175.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.594 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.8 t . . . . . 0 C--O 1.234 0.266 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.8 m -151.22 119.3 6.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.224 0.535 . . . . 0.0 111.554 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 13.4 p -130.19 142.02 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -81.33 134.81 35.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.49 0.662 . . . . 0.0 111.746 -174.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -141.59 96.98 3.07 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.003 175.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.74 -66.65 0.09 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.62 -174.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -94.69 142.03 27.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.84 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 154.32 33.35 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.543 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.431 ' O ' ' HD2' ' A' ' 136' ' ' ARG . 4.4 mppt? -114.07 35.78 3.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.028 0.442 . . . . 0.0 110.684 177.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 3.2 p -87.91 104.01 14.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.518 0.675 . . . . 0.0 110.217 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' A' ' 134' ' ' LYS . 6.2 mpt_? -94.34 104.04 16.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.515 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -155.0 77.83 4.95 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-O 120.997 0.427 . . . . 0.0 110.368 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -85.82 129.59 3.53 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.353 2.702 . . . . 0.0 111.405 176.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' A' ' 141' ' ' LEU . 0.9 OUTLIER -77.86 90.23 4.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.325 0.584 . . . . 0.0 109.747 -179.456 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -77.91 76.83 4.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.888 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.555 ' HB2' HD22 ' A' ' 139' ' ' LEU . 4.9 tt -83.79 97.15 9.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.537 -170.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 141' ' ' LEU . 24.9 tt0 176.39 144.72 0.08 Allowed 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.961 0.788 . . . . 0.0 110.016 172.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -120.98 58.66 0.95 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.862 0.839 . . . . 0.0 109.27 173.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -82.78 83.54 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.225 -176.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 20.7 m80 . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.63 178.938 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.612 ' HA ' ' HB2' ' A' ' 12' ' ' ASP . 26.6 ttt . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.587 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 43.6 mm -87.63 96.22 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.3 107.02 19.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.083 0.468 . . . . 0.0 110.334 179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 5' ' ' SER . 27.3 mm -92.98 164.87 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.437 ' N ' HG22 ' A' ' 4' ' ' ILE . 8.0 p -65.32 158.52 26.23 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 174.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.433 ' HG2' ' H ' ' A' ' 7' ' ' THR . 15.1 ttm180 67.91 -164.5 0.2 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -177.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.433 ' H ' ' HG2' ' A' ' 6' ' ' ARG . 12.4 t -83.81 26.94 0.67 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.265 0.555 . . . . 0.0 111.785 -174.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.7 t -105.59 124.63 60.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 O-C-N 121.997 -0.439 . . . . 0.0 111.109 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 m -141.67 155.04 45.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.185 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.587 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 58.3 mt -135.53 149.17 28.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.501 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -63.43 145.66 55.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 110.857 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.612 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 22.4 t70 -65.19 -45.64 83.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.86 -173.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -79.61 0.29 30.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.564 -173.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.501 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 27.5 mm-40 -81.0 -11.76 59.5 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -174.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.9 mt -74.52 157.68 35.08 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 176.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.761 ' HB2' ' HB3' ' A' ' 40' ' ' ARG . 38.9 mt-10 -87.92 97.49 10.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.7 mm -90.36 125.82 43.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.056 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.525 ' O ' ' HB3' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -128.42 148.67 50.72 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.054 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.51 136.32 32.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.242 177.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 55.5 mt -75.26 127.27 36.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.219 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.4 ptp180 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.898 176.706 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.692 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.686 HD11 HE21 ' A' ' 80' ' ' GLN . 39.8 mm -98.76 114.7 37.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 CA-C-O 121.699 0.762 . . . . 0.0 111.246 -174.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.525 ' HB3' ' O ' ' A' ' 18' ' ' THR . 54.0 t-80 -113.73 102.74 10.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.089 174.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.71 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.5 pt? -105.64 147.88 27.98 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.389 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.761 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 30.6 ttt180 -118.24 111.68 19.11 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.98 -176.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.477 ' HB3' ' CG1' ' A' ' 70' ' ' ILE . 65.2 t80 -114.45 113.76 24.91 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -106.16 145.88 30.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.089 -174.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.709 HG13 HD13 ' A' ' 56' ' ' LEU . 1.7 mp -71.82 -44.17 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.994 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 44' ' ' ARG . 21.4 ttt180 -68.38 -18.82 64.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.999 -176.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.11 -19.88 63.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.617 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t 66.06 174.7 0.23 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.981 0.896 . . . . 0.0 111.904 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.51 -43.09 1.3 Allowed Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.467 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.59 HD12 HD11 ' A' ' 56' ' ' LEU . 84.4 mt -76.82 154.4 83.19 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.718 0.294 . . . . 0.0 111.363 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -62.8 166.59 13.59 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.248 2.632 . . . . 0.0 112.419 175.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 68.5 mm-40 -57.75 -52.98 63.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.27 -174.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.42 -41.81 90.4 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -175.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.648 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 98.6 m-85 -69.35 -37.6 77.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.761 0.315 . . . . 0.0 110.373 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.521 ' HA ' HD12 ' A' ' 56' ' ' LEU . 34.3 ttpt -63.68 -40.84 97.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.605 176.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 98.0 mt-30 -57.05 -50.14 73.66 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.756 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -59.99 -36.25 76.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.398 -177.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.709 HD13 HG13 ' A' ' 43' ' ' ILE . 93.9 mt -56.78 -34.65 67.84 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -174.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.504 HD21 HG21 ' A' ' 43' ' ' ILE . 3.2 mm? -89.68 -31.77 17.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.847 0.356 . . . . 0.0 111.321 -178.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.8 p -82.54 -39.06 22.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -174.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.434 ' HB3' HD23 ' A' ' 98' ' ' LEU . . . -81.97 112.05 18.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.308 0.575 . . . . 0.0 111.237 -174.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.5 p -80.28 70.1 6.86 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.994 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -96.93 130.1 44.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -71.94 71.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.954 0.883 . . . . 0.0 112.514 -173.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.547 HD13 HG22 ' A' ' 94' ' ' VAL . 72.7 mt -146.36 -30.97 0.37 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 113.59 -1.641 . . . . 0.0 108.909 174.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.581 ' HA ' HG22 ' A' ' 70' ' ' ILE . 18.2 mm -61.37 136.75 24.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 170.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 m -72.43 -59.54 2.68 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.907 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -169.79 -63.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.761 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -72.21 -80.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.971 0.415 . . . . 0.0 111.269 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -156.83 37.34 0.57 Allowed Glycine 0 C--N 1.316 -0.532 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.866 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.9 148.17 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.581 HG22 ' HA ' ' A' ' 64' ' ' ILE . 31.0 pt -110.61 135.13 50.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.026 0.441 . . . . 0.0 110.505 174.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mp -114.97 121.82 67.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.987 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.71 ' HB ' HD21 ' A' ' 39' ' ' LEU . 3.5 mp -112.88 123.9 69.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.08 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -99.76 108.12 20.36 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.475 0.655 . . . . 0.0 110.395 173.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.46 124.7 50.62 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.629 -1.169 . . . . 0.0 110.065 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -157.6 104.94 2.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.223 0.535 . . . . 0.0 111.859 -176.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.694 ' HB2' HD11 ' A' ' 82' ' ' LEU . 2.8 tm-20 -87.25 -66.48 0.91 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 165.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -168.99 -85.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.268 169.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.46 -6.49 10.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.68 0.276 . . . . 0.0 111.695 -175.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -75.64 81.59 2.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.168 0.509 . . . . 0.0 109.867 175.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.686 HE21 HD11 ' A' ' 37' ' ' ILE . 2.7 tp60 -56.21 -32.63 64.6 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.382 -177.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.12 -54.96 38.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.208 -176.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 76' ' ' GLU . 1.6 pp -69.41 -32.75 71.94 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.208 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -59.47 -40.73 87.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.146 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.462 ' O ' HG13 ' A' ' 88' ' ' ILE . 57.1 mtm180 -75.7 -44.69 40.88 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.962 177.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -57.31 -45.4 84.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.657 0.265 . . . . 0.0 111.464 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.5 84.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.49 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.98 78.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.546 177.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.589 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.7 mt -61.23 -49.78 83.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.352 177.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.45 -40.36 78.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.878 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.65 HH11 HG23 ' A' ' 72' ' ' ILE . 42.3 ttm180 -67.01 -42.74 84.46 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.026 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 2.9 pp -69.08 -36.95 78.17 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.356 -178.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.555 ' HA ' HD12 ' A' ' 95' ' ' ILE . 98.8 t -63.69 -38.28 81.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 174.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.548 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -62.2 -42.6 99.44 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.411 175.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 90' ' ' ARG . 69.7 t -55.47 -43.23 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 92' ' ' VAL . 60.1 mt -57.8 -36.24 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.218 177.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -79.91 -41.17 26.65 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.754 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 17.4 mm-40 -50.37 -42.17 52.95 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -174.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.595 HD22 HD23 ' A' ' 56' ' ' LEU . 9.1 mp -87.91 -8.49 55.7 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.946 -172.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.2 m -118.59 -48.55 2.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.066 0.46 . . . . 0.0 111.249 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.937 -178.3 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 62.5 m . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.907 0.384 . . . . 0.0 110.074 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 45.2 m -142.57 136.97 29.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 4.2 p -134.19 108.75 11.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.41 0.624 . . . . 0.0 109.952 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -130.7 133.3 45.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.023 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -144.74 95.63 2.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.622 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -103.93 98.93 8.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.276 -175.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -106.99 128.06 54.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.497 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -165.49 109.78 0.38 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.812 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 149.6 22.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.94 0.4 . . . . 0.0 110.241 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.29 131.67 41.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.371 -176.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -121.41 141.13 51.28 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 173.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -153.53 102.64 2.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.865 -172.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -95.9 165.65 1.34 Allowed 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.419 2.746 . . . . 0.0 111.886 172.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 57.1 tp -156.21 127.38 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.335 -0.228 . . . . 0.0 111.242 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -160.13 137.25 9.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . 0.662 HD23 ' H ' ' A' ' 141' ' ' LEU . 2.5 pt? -119.64 172.6 7.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.676 0.274 . . . . 0.0 110.678 -176.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.68 144.35 43.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.876 0.37 . . . . 0.0 110.504 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -171.03 128.42 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.878 0.371 . . . . 0.0 110.576 177.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -154.73 156.76 36.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 83.0 t60 . . . . . 0 C--N 1.318 -0.764 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.609 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.519 ' HA ' ' HB2' ' A' ' 12' ' ' ASP . 23.7 ttt . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.729 HD11 HD11 ' A' ' 15' ' ' LEU . 48.3 mm -99.95 115.79 41.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.6 0.238 . . . . 0.0 110.793 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.46 121.73 45.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.55 177.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 5' ' ' SER . 28.0 mm -107.02 165.38 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 1.3 p -59.77 151.23 25.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 174.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.536 ' HB2' ' O ' ' A' ' 5' ' ' SER . 12.2 mpt_? 70.73 -172.84 0.17 Allowed 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.647 0.592 . . . . 0.0 109.727 -168.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 t -86.89 47.94 1.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.911 0.862 . . . . 0.0 110.403 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.7 t -111.96 113.15 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.562 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 m -123.51 153.92 39.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.021 0.438 . . . . 0.0 110.409 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.588 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 72.0 mt -131.47 137.81 54.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.527 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -61.47 148.79 40.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.259 0.552 . . . . 0.0 111.527 -175.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.519 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 28.5 t70 -68.28 -29.77 68.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.357 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -83.49 -13.31 54.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.022 -179.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.527 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 21.4 mt-10 -73.97 -8.84 57.62 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.711 0.291 . . . . 0.0 111.42 -179.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.729 HD11 HD11 ' A' ' 2' ' ' ILE . 98.4 mt -78.0 129.23 35.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.717 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -89.23 109.63 20.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.4 0.619 . . . . 0.0 110.382 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.4 mm -102.01 123.29 55.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.531 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.85 149.85 34.44 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.77 140.73 29.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.952 0.406 . . . . 0.0 110.504 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.467 HD11 ' HB2' ' A' ' 38' ' ' HIS . 39.7 mm -74.46 127.59 36.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.918 177.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 . . . . . 0 C--N 1.317 -0.826 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.559 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.666 0 CA-C-O 121.168 0.509 . . . . 0.0 110.613 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.579 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 49.5 mm -101.18 117.7 46.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.915 -175.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.467 ' HB2' HD11 ' A' ' 20' ' ' ILE . 14.5 t-80 -114.56 105.57 13.24 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.138 0.494 . . . . 0.0 109.771 174.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.587 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.0 pt? -106.15 150.06 26.2 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.397 -177.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -124.62 107.64 11.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.469 0.652 . . . . 0.0 110.041 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -97.62 104.44 16.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.895 -177.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' A' ' 69' ' ' VAL . 28.3 t0 -105.18 126.84 52.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -177.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.701 HG21 ' HG3' ' A' ' 53' ' ' LYS . 56.9 mt -56.54 -43.31 77.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.436 177.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -65.32 -14.66 61.29 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.014 -174.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.24 -14.62 58.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 0.0 111.7 -177.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 t -135.84 -170.01 2.53 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -123.61 69.98 0.45 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.915 -0.659 . . . . 0.0 111.95 -179.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.4 mt -75.23 153.85 86.24 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.409 ' HB2' ' HD1' ' A' ' 52' ' ' TYR . 50.8 Cg_exo -55.43 141.98 81.18 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.499 2.132 . . . . 0.0 112.117 178.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.592 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 6.9 tp10 -52.55 -41.19 63.31 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.737 -174.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -54.18 -44.68 71.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.551 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.409 ' HD1' ' HB2' ' A' ' 49' ' ' PRO . 62.0 m-85 -66.49 -42.4 87.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.082 -177.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.701 ' HG3' HG21 ' A' ' 43' ' ' ILE . 27.0 ttpt -62.54 -38.02 88.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.342 -178.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 33.4 mm-40 -55.84 -49.96 71.87 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.784 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 55' ' ' ARG . 23.8 mmt180 -67.32 -39.51 85.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.38 -28.4 67.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.606 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.2 mt -82.72 -29.32 29.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.62 0.248 . . . . 0.0 111.651 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.6 p -84.96 -43.29 14.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.13 122.62 16.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.128 0.49 . . . . 0.0 111.59 -177.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.2 m -89.32 52.83 2.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.64 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -84.5 126.85 33.66 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -54.57 -27.95 42.58 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -173.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 71.4 mt -57.74 -26.01 61.22 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.496 HD13 HG12 ' A' ' 70' ' ' ILE . 42.3 mm -73.46 129.59 36.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 175.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.755 ' HB3' HG13 ' A' ' 69' ' ' VAL . 32.4 t -84.87 -51.04 7.03 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -170.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -149.76 -83.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.389 -175.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.84 -84.88 0.11 Allowed 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.331 0.586 . . . . 0.0 110.396 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.457 ' O ' HG13 ' A' ' 43' ' ' ILE . . . -137.32 36.22 1.98 Allowed Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.521 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.755 HG13 ' HB3' ' A' ' 65' ' ' SER . 7.1 p -111.08 141.95 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.496 HG12 HD13 ' A' ' 64' ' ' ILE . 52.3 mt -109.79 124.05 66.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.845 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.524 HD13 ' HB2' ' A' ' 65' ' ' SER . 1.4 mp -103.2 115.39 45.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.584 0.707 . . . . 0.0 110.195 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.412 ' HB ' HD21 ' A' ' 39' ' ' LEU . 44.6 mm -122.23 128.12 75.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.051 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -98.16 122.7 41.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.323 0.582 . . . . 0.0 110.526 171.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.579 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -106.05 122.18 45.64 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.559 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -156.48 104.0 2.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.597 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -93.1 -67.52 0.85 Allowed 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 173.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 73.6 t80 175.93 -36.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.003 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -152.66 166.94 30.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.245 -177.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.427 ' HB2' HD23 ' A' ' 82' ' ' LEU . 50.3 m 60.47 88.95 0.07 Allowed 'General case' 0 C--O 1.233 0.232 0 O-C-N 124.031 0.832 . . . . 0.0 112.008 176.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.501 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 0.8 OUTLIER -60.39 -28.71 68.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.863 -178.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -50.79 -53.85 28.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.282 176.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.427 HD23 ' HB2' ' A' ' 79' ' ' SER . 2.5 pp -73.64 -27.83 61.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.067 0.461 . . . . 0.0 110.182 -176.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.462 ' OD1' ' HA ' ' A' ' 80' ' ' GLN . 10.8 m120 -60.49 -39.44 87.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.16 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 38.3 mtm180 -64.41 -49.61 70.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.354 178.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -54.74 -43.93 73.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.221 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 90' ' ' ARG . . . -63.64 -44.12 94.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.129 178.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . . . -59.86 -44.84 93.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.349 178.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.429 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 88.4 mt -60.15 -51.11 76.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.533 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.11 75.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.391 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 86' ' ' ALA . 17.7 mmm-85 -67.78 -48.73 65.52 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.705 178.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.443 ' O ' HG13 ' A' ' 95' ' ' ILE . 3.0 pp -66.57 -39.84 88.67 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.094 -175.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.3 t -64.69 -38.17 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.906 0.384 . . . . 0.0 110.099 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.644 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -61.81 -43.76 98.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.579 177.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 90' ' ' ARG . 90.1 t -59.06 -42.28 85.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.851 0.358 . . . . 0.0 110.59 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 91' ' ' LEU . 79.5 mt -58.09 -41.65 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.263 176.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -73.27 -24.67 60.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.622 -179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.644 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 32.7 mm-40 -66.23 -43.15 87.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.111 0.481 . . . . 0.0 109.725 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.3 mp -75.84 -30.22 58.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.616 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 40.3 p -105.33 25.8 10.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 0.0 111.331 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.615 178.739 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 62.1 m . . . . . 0 N--CA 1.449 -0.516 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 24.7 t -99.07 111.36 23.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.237 -179.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.9 m -77.85 157.08 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.146 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -133.95 122.17 22.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.549 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -95.24 139.89 30.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.437 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.5 mp -89.65 107.79 19.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.226 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 132' ' ' ARG . 49.3 mtt180 -87.1 94.62 9.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.211 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.74 133.76 1.81 Allowed Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.696 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -120.03 173.14 7.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.13 0.491 . . . . 0.0 110.987 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.3 m -101.35 -170.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.371 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . 0.545 ' HD2' ' H ' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -112.11 -177.56 3.2 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.658 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -87.09 106.15 10.22 Favored Pre-proline 0 C--N 1.326 -0.416 0 C-N-CA 120.736 -0.386 . . . . 0.0 109.98 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . 0.495 ' HD3' ' O ' ' A' ' 136' ' ' ARG . 72.1 Cg_endo -77.21 123.11 6.46 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.502 2.135 . . . . 0.0 112.346 -175.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.15 74.86 8.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.22 0.533 . . . . 0.0 109.989 177.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -99.37 109.26 21.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.6 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 58.5 tp -82.74 123.22 29.1 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.834 -172.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -85.69 123.59 31.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.293 172.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -109.04 137.28 47.19 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.481 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -74.17 145.1 44.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.647 -178.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 10.0 p80 . . . . . 0 C--N 1.322 -0.602 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.778 177.42 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.461 ' SD ' ' HA ' ' A' ' 11' ' ' ALA . 14.0 tpt . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.9 mp -106.63 109.67 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.0 0.429 . . . . 0.0 109.997 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.33 108.61 20.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.794 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.693 ' HB ' HG13 ' A' ' 8' ' ' VAL . 35.8 mm -93.98 160.64 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -178.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.492 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 14.2 m -62.96 155.53 27.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 176.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.492 ' HB2' ' O ' ' A' ' 5' ' ' SER . 37.1 mmt180 73.02 -164.49 0.11 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.481 0.488 . . . . 0.0 110.61 -175.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.2 t -89.68 37.25 0.87 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -173.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.693 HG13 ' HB ' ' A' ' 4' ' ' ILE . 8.6 p -122.59 129.49 75.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.509 0.671 . . . . 0.0 111.563 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m -128.61 149.26 50.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.539 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.418 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 68.5 mt -124.92 128.79 73.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.836 0.351 . . . . 0.0 110.561 -178.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.461 ' HA ' ' SD ' ' A' ' 1' ' ' MET . . . -66.64 151.28 47.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.56 -178.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.34 -34.67 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.255 -172.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -87.49 3.1 48.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.08 0.467 . . . . 0.0 111.347 -174.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.449 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 5.5 mm-40 -90.32 -19.55 23.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -175.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.4 mt -85.5 163.26 18.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.052 0.453 . . . . 0.0 111.106 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -89.15 98.05 11.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.916 175.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.1 mm -101.84 112.55 35.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.126 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.37 150.37 37.85 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.462 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.22 114.76 27.32 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 173.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.564 HD12 ' HB3' ' A' ' 36' ' ' ALA . 46.8 mt -55.47 118.26 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.217 0.532 . . . . 0.0 110.591 -176.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.878 -176.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.564 ' HB3' HD12 ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.608 HD11 ' HB3' ' A' ' 80' ' ' GLN . 45.4 mm -100.21 119.72 48.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.57 0.7 . . . . 0.0 111.515 -176.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.503 ' HB2' HG12 ' A' ' 20' ' ' ILE . 22.0 t-80 -109.97 114.69 28.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.895 175.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.459 HD21 ' HB1' ' A' ' 87' ' ' ALA . 2.1 pt? -128.44 144.82 51.2 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -121.19 121.06 36.97 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.327 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.51 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 4.3 t80 -96.66 101.45 13.06 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.424 ' HA ' HG23 ' A' ' 69' ' ' VAL . 24.2 t70 -101.6 142.0 33.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.141 -168.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.559 HG21 ' HE3' ' A' ' 53' ' ' LYS . 1.8 mp -78.83 -42.83 24.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.853 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.2 ttm-85 -63.45 -31.75 73.0 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.697 0.284 . . . . 0.0 110.99 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.31 -22.83 54.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.831 173.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.0 p 62.24 154.16 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.268 1.427 . . . . 0.0 113.508 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.28 -38.41 0.96 Allowed Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.673 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.466 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 90.7 mt -75.57 144.42 77.29 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.44 -0.38 . . . . 0.0 110.512 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 23.9 Cg_exo -65.15 158.01 54.38 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.856 2.371 . . . . 0.0 111.788 176.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.34 -36.69 66.55 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.223 -176.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -59.07 -53.0 63.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.429 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 85.7 m-85 -68.07 -35.37 78.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.852 -178.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.559 ' HE3' HG21 ' A' ' 43' ' ' ILE . 1.2 tmtp? -58.24 -50.51 73.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.931 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -63.35 -41.67 98.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 55' ' ' ARG . 10.9 mmt180 -58.74 -44.38 90.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.901 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.606 HD23 HD22 ' A' ' 98' ' ' LEU . 96.0 mt -63.38 -35.32 80.03 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.01 0.433 . . . . 0.0 111.29 -177.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.98 -14.73 57.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.298 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.6 m -92.79 -52.08 4.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.754 0.311 . . . . 0.0 111.428 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.44 117.03 17.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.89 0.376 . . . . 0.0 111.335 -176.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.8 t -77.55 75.08 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.419 0.628 . . . . 0.0 110.134 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -93.39 128.81 39.61 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -73.75 21.3 0.09 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -169.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.1 mt -97.92 -13.05 21.41 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.304 0.573 . . . . 0.0 109.78 172.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.409 ' CD1' HG12 ' A' ' 70' ' ' ILE . 39.1 mm -78.02 130.32 36.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 173.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.9 p -82.32 -83.55 0.13 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.866 0.365 . . . . 0.0 111.659 -174.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -146.56 -47.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.202 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.434 ' HB2' HG12 ' A' ' 69' ' ' VAL . 5.6 m-20 -74.88 15.98 0.34 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -177.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.448 ' O ' HD13 ' A' ' 43' ' ' ILE . . . 71.52 19.63 77.88 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.431 -175.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.434 HG12 ' HB2' ' A' ' 67' ' ' ASP . 2.7 p -106.0 143.87 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.51 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 22.8 mt -86.58 117.14 30.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.147 -178.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mp -103.79 119.38 52.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.278 0.561 . . . . 0.0 110.11 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.9 mp -108.3 116.76 52.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.701 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -94.25 104.17 16.17 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.441 0.638 . . . . 0.0 109.597 173.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.575 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -102.29 123.16 45.62 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.829 -174.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.428 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . 8.6 pt20 -164.13 104.84 0.88 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.136 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -121.07 -79.23 0.6 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.754 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -161.57 105.25 1.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.545 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 69.66 151.44 0.09 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 172.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.558 ' HB3' HD23 ' A' ' 82' ' ' LEU . 45.1 t 65.71 111.03 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.22 -0.9 . . . . 0.0 113.14 172.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.608 ' HB3' HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -58.34 -34.93 71.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.718 172.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -60.57 -54.95 39.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.402 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.558 HD23 ' HB3' ' A' ' 79' ' ' SER . 0.9 OUTLIER -71.1 -31.97 68.46 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.399 -176.128 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.92 -32.75 74.22 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -64.49 -51.48 62.78 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.228 0.537 . . . . 0.0 109.891 175.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.92 -38.55 79.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.688 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.642 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -64.17 -40.84 96.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.487 175.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.509 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . . . -60.26 -40.9 91.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.569 175.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.516 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 84.2 mt -60.31 -50.22 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.755 175.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.98 -39.54 74.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.642 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 10.5 mpt_? -60.29 -53.78 53.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.269 176.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 4.0 pp -68.21 -36.72 79.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.549 0.214 . . . . 0.0 111.382 -174.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 88' ' ' ILE . 54.3 t -59.98 -41.42 86.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.583 177.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.56 -43.92 88.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.772 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 90' ' ' ARG . 98.8 t -61.69 -41.57 90.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.119 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 91' ' ' LEU . 88.3 mt -58.48 -39.84 76.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.31 0.576 . . . . 0.0 110.39 176.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.45 ' HA ' ' OG1' ' A' ' 99' ' ' THR . 0.0 OUTLIER -72.61 -19.41 61.47 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.374 177.399 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -65.7 -32.44 74.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.148 0.499 . . . . 0.0 110.617 175.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.606 HD22 HD23 ' A' ' 56' ' ' LEU . 10.3 mp -89.85 -8.32 52.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.725 -176.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.45 ' OG1' ' HA ' ' A' ' 96' ' ' LYS . 2.7 p -114.75 -53.96 2.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.991 0.425 . . . . 0.0 110.998 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.687 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 175.726 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.3 m . . . . . 0 C--O 1.234 0.276 0 CA-C-O 120.44 0.162 . . . . 0.0 111.429 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.6 m 69.93 97.04 0.06 Allowed 'General case' 0 C--O 1.231 0.081 0 O-C-N 124.036 0.835 . . . . 0.0 111.499 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.57 133.76 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.638 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -145.54 122.97 11.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.239 0.542 . . . . 0.0 111.439 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -167.63 97.2 0.47 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.019 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.1 pp -124.51 163.13 22.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.817 -177.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -172.16 168.95 5.63 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.234 0.334 . . . . 0.0 110.229 178.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.59 155.51 26.52 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -151.43 125.02 8.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.001 0.429 . . . . 0.0 111.301 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 3.0 m -144.24 137.14 23.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.44 175.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -162.36 137.02 6.78 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -113.07 103.89 55.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.882 0.372 . . . . 0.0 111.327 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -89.81 179.9 2.0 Allowed 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 123.64 2.893 . . . . 0.0 110.869 171.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 57.1 tp -161.77 117.97 2.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.056 0.455 . . . . 0.0 111.329 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -112.67 130.48 56.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.625 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.7 tt -166.6 101.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.93 113.63 5.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 178.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -137.82 88.67 2.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.179 0.514 . . . . 0.0 110.948 176.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -113.98 115.87 28.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.43 174.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.904 -173.253 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.475 ' SD ' ' HA ' ' A' ' 11' ' ' ALA . 14.2 tpt . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.437 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.9 mp -112.34 106.55 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.028 0.442 . . . . 0.0 110.431 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 9' ' ' SER . . . -94.14 119.54 33.12 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.231 176.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.462 HG23 HD13 ' A' ' 95' ' ' ILE . 17.3 mm -83.67 165.67 2.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.408 ' N ' HG22 ' A' ' 4' ' ' ILE . 2.6 p -61.21 152.25 29.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.769 0.319 . . . . 0.0 111.011 178.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.491 ' O ' HG22 ' A' ' 7' ' ' THR . 68.9 mtt180 71.23 34.85 1.69 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.883 -178.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 6' ' ' ARG . 3.3 t 56.56 20.83 5.19 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.65 1.18 . . . . 0.0 113.241 172.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.3 t -92.37 104.47 15.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 3' ' ' ALA . 14.2 m -100.15 154.78 18.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.236 0.541 . . . . 0.0 112.003 -174.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.401 HD11 HD21 ' A' ' 48' ' ' LEU . 64.1 mt -130.29 124.11 57.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.324 176.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.475 ' HA ' ' SD ' ' A' ' 1' ' ' MET . . . -77.31 153.69 33.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.04 -177.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -62.98 -22.39 66.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.358 0.599 . . . . 0.0 110.24 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -66.63 -28.17 68.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.865 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.83 -16.85 43.02 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.301 -175.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.416 HD11 HD13 ' A' ' 2' ' ' ILE . 88.6 mt -85.51 150.81 24.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.208 -177.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.932 ' HB2' ' HB3' ' A' ' 40' ' ' ARG . 40.1 mt-10 -88.12 101.16 13.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 175.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.3 mm -100.12 130.93 48.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.99 -173.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.51 146.55 36.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.06 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.35 133.38 35.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.69 173.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.584 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 51.5 mt -73.12 118.96 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.084 0.468 . . . . 0.0 110.364 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' A' ' 21' ' ' ARG . 7.8 tpt180 . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.966 -177.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.584 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.443 -0.794 0 CA-C-O 121.213 0.53 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mm -100.36 132.24 46.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.288 -177.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -132.51 104.42 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.438 175.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.676 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.3 pt? -116.85 144.33 44.63 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.045 0.45 . . . . 0.0 110.484 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.932 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 10.1 ttt180 -112.58 108.21 17.21 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.813 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -96.63 103.86 15.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.879 -176.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -103.93 146.5 28.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.91 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.792 HG12 HD13 ' A' ' 56' ' ' LEU . 1.4 mp -85.67 -42.07 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.371 -177.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -61.46 -23.18 65.69 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.609 -174.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.74 -26.21 68.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.622 176.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.5 t -130.12 -166.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.45 78.51 0.36 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.925 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.401 HD21 HD11 ' A' ' 10' ' ' ILE . 75.2 mt -75.69 155.72 85.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.529 0.204 . . . . 0.0 110.842 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.409 ' HB2' ' HD2' ' A' ' 52' ' ' TYR . 50.5 Cg_exo -53.37 149.82 28.43 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.976 2.451 . . . . 0.0 112.613 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.04 -37.14 78.93 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -170.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -64.06 -46.26 85.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.543 0.211 . . . . 0.0 111.238 -177.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.595 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 89.3 m-85 -64.69 -45.4 86.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.93 0.395 . . . . 0.0 109.938 175.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -52.96 -48.11 67.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.941 -178.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -72.75 -42.22 64.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.646 0.26 . . . . 0.0 111.255 -176.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -62.29 -33.9 75.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.792 HD13 HG12 ' A' ' 43' ' ' ILE . 91.8 mt -57.53 -42.02 82.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.923 0.392 . . . . 0.0 111.705 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.02 -14.47 31.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.549 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.4 m -93.72 -42.57 9.08 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.78 0.324 . . . . 0.0 111.617 -177.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.93 97.57 10.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.465 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.5 m -68.21 100.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.288 0.566 . . . . 0.0 111.553 -174.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -108.15 140.26 41.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.19 174.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -86.25 11.02 13.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.863 0.84 . . . . 0.0 110.074 -174.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.401 ' N ' HD12 ' A' ' 63' ' ' LEU . 5.5 mp -86.28 -6.75 58.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.302 -1.317 . . . . 0.0 108.993 170.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.469 HD13 HG13 ' A' ' 70' ' ' ILE . 48.0 mm -82.65 136.0 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.54 175.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.521 ' CB ' HD13 ' A' ' 71' ' ' ILE . 29.6 t -80.48 -84.46 0.1 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.546 -176.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -121.84 -86.58 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -170.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -87.92 49.0 1.72 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.579 0.704 . . . . 0.0 110.793 -173.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.65 29.53 63.37 Favored Glycine 0 C--O 1.226 -0.352 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.643 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.454 HG11 ' NH1' ' A' ' 40' ' ' ARG . 7.7 p -112.7 144.87 19.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.482 0.182 . . . . 0.0 110.565 -177.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.469 HG13 HD13 ' A' ' 64' ' ' ILE . 4.3 mp -98.53 124.75 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.583 -176.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.577 HG13 ' HA ' ' A' ' 40' ' ' ARG . 2.3 mp -121.23 123.76 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.89 0.376 . . . . 0.0 110.061 175.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.676 ' HB ' HD21 ' A' ' 39' ' ' LEU . 3.6 mp -106.0 143.13 17.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.638 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -118.04 146.83 43.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.011 0.434 . . . . 0.0 110.558 176.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.74 135.07 19.41 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.149 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' A' ' 75' ' ' GLN . 12.6 pt20 -158.37 104.34 1.83 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.893 0.378 . . . . 0.0 110.472 -176.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -146.98 -85.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 176.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 20.4 t80 -92.78 10.83 29.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.359 -169.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' A' ' 77' ' ' PHE . 23.1 mtm180 74.0 -35.9 0.32 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.375 0.67 . . . . 0.0 112.125 178.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.7 m -56.69 106.82 0.33 Allowed 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.027 0.441 . . . . 0.0 110.569 177.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.53 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 21.5 mp0 -59.25 -36.58 75.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.127 -175.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -51.07 -54.08 28.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.414 0.446 . . . . 0.0 111.481 -176.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.656 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 3.6 pp -76.41 -30.12 57.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.176 0.513 . . . . 0.0 111.03 -176.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.444 HD22 ' HA ' ' A' ' 83' ' ' ASN . 6.9 m120 -68.7 -37.33 79.45 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.727 176.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 18.3 mtm180 -68.29 -47.4 67.72 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.7 177.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.656 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 12.9 pt-20 -65.22 -33.59 76.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 111.129 -176.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.77 82.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.871 0.367 . . . . 0.0 110.495 173.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.6 94.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.191 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.546 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 88.8 mt -59.86 -49.61 83.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.157 175.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.61 -44.79 77.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.914 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -61.35 -44.29 97.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.959 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.2 pp -72.79 -38.19 67.33 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.979 -176.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.557 ' HA ' HD12 ' A' ' 95' ' ' ILE . 82.6 t -63.46 -39.19 84.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.936 0.398 . . . . 0.0 109.93 177.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.568 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -60.85 -44.73 96.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.607 176.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.3 t -58.16 -37.87 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.039 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 92' ' ' VAL . 82.1 mt -56.23 -43.52 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 110.262 175.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -69.46 -37.91 77.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.838 177.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 29.7 mm-40 -60.02 -43.36 95.33 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.462 -178.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.642 HD22 HD23 ' A' ' 56' ' ' LEU . 10.6 mp -76.09 -15.38 60.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.246 -178.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.4 m -80.14 -29.33 38.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.585 0.707 . . . . 0.0 109.432 174.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.237 176.86 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.4 t . . . . . 0 C--O 1.234 0.28 0 N-CA-C 110.037 -0.356 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.2 m -150.48 136.2 18.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.41 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.7 p -157.83 140.19 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.131 -176.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -138.5 150.49 46.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.294 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -154.92 107.99 2.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.392 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.564 ' HG ' ' HG3' ' A' ' 132' ' ' ARG . 2.6 pt? -169.21 -178.02 3.06 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.935 -178.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.564 ' HG3' ' HG ' ' A' ' 131' ' ' LEU . 99.5 mtt180 77.07 156.17 0.17 Allowed 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.302 1.001 . . . . 0.0 112.183 178.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 168.27 163.66 22.62 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.811 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -162.69 132.23 4.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.164 0.482 . . . . 0.0 110.844 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 48.6 t -126.59 126.08 68.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.775 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -135.47 144.7 46.54 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -135.69 94.85 14.58 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 120.921 0.391 . . . . 0.0 110.637 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -88.68 117.85 0.95 Allowed 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.296 2.664 . . . . 0.0 112.398 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 87.9 mt -100.74 118.25 36.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.54 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -120.87 178.03 4.87 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.4 mt -124.12 157.51 34.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.354 0.597 . . . . 0.0 112.215 -170.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -122.71 159.87 27.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.17 -0.923 . . . . 0.0 108.823 173.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -161.09 82.49 0.64 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.03 0.443 . . . . 0.0 110.481 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -83.77 115.16 22.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.012 177.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 2.8 p80 . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.296 179.719 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . 0.858 HD11 HD11 ' A' ' 15' ' ' LEU . 45.8 mm -105.4 132.06 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.035 0.445 . . . . 0.0 111.234 -178.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.62 120.85 38.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.252 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.881 ' HB ' HG13 ' A' ' 8' ' ' VAL . 34.7 mm -98.89 164.2 2.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -178.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.446 ' N ' HG22 ' A' ' 4' ' ' ILE . 2.6 p -61.16 142.71 56.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.066 0.46 . . . . 0.0 111.013 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 73.05 43.38 0.4 Allowed 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.751 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 76.84 -25.33 0.2 Allowed 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 164.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.881 HG13 ' HB ' ' A' ' 4' ' ' ILE . 7.6 p -62.72 131.34 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.144 0.497 . . . . 0.0 111.099 -178.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.6 m -118.29 155.29 30.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.348 -175.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.552 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 57.0 mt -130.18 154.36 40.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.521 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.49 162.3 25.92 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.147 0.499 . . . . 0.0 111.219 -177.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -79.06 -41.84 27.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.889 -174.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -85.69 14.97 5.08 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -170.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -94.94 -2.25 50.89 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 120.947 0.404 . . . . 0.0 111.115 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.858 HD11 HD11 ' A' ' 2' ' ' ILE . 92.6 mt -79.89 140.76 36.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.737 177.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -105.89 112.93 26.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 175.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -105.55 127.79 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.039 0.447 . . . . 0.0 110.974 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 p -125.07 149.14 48.11 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.345 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.33 125.96 46.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.502 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.54 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 60.9 mt -71.48 143.89 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 . . . . . 0 CA--C 1.53 0.176 0 O-C-N 123.633 0.583 . . . . 0.0 111.859 -178.529 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.54 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . . . . . . 0 N--CA 1.442 -0.843 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.566 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 50.0 mm -97.49 124.99 50.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.284 0.564 . . . . 0.0 111.02 -174.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.403 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 55.1 t-80 -118.73 115.76 25.16 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.437 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.625 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.6 pt? -132.79 150.28 52.18 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 32.6 ptt180 -130.79 137.4 49.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.154 0.502 . . . . 0.0 110.95 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -108.79 109.97 21.23 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 174.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -113.62 153.66 28.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.947 0.403 . . . . 0.0 111.302 -172.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.515 HG21 ' HE3' ' A' ' 53' ' ' LYS . 63.1 mt -64.63 -44.33 96.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.3 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -65.15 -19.04 65.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.915 -176.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.75 -18.13 62.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.657 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t 66.3 179.34 0.21 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.681 0.753 . . . . 0.0 111.268 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.72 -48.05 0.98 Allowed Glycine 0 C--N 1.316 -0.577 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.732 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 94.4 mt -73.53 143.3 82.16 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.712 0.291 . . . . 0.0 110.947 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 17.8 Cg_exo -69.39 153.04 71.2 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.781 2.321 . . . . 0.0 111.49 174.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 44.5 mt-10 -57.83 -39.0 76.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.046 -174.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -55.83 -51.12 68.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.89 0.376 . . . . 0.0 111.225 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.453 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 85.9 m-85 -71.29 -34.3 70.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.305 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.515 ' HE3' HG21 ' A' ' 43' ' ' ILE . 83.3 tttt -55.17 -42.57 73.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.125 175.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 32.5 mm-40 -67.24 -40.31 86.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.227 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -68.14 -31.39 70.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.106 -175.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 52' ' ' TYR . 96.7 mt -63.34 -33.03 74.64 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.107 0.479 . . . . 0.0 110.759 177.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.0 mt -79.72 -17.46 53.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.838 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.8 m -84.18 -44.81 13.59 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.406 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.37 106.85 18.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.546 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.5 m -75.27 63.8 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.233 0.54 . . . . 0.0 110.635 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -81.4 142.78 32.67 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -63.49 -28.48 69.98 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -170.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.46 HD22 ' CG2' ' A' ' 94' ' ' VAL . 6.9 mp -72.13 -3.47 23.43 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.763 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.45 HD13 HG13 ' A' ' 70' ' ' ILE . 43.2 mm -76.56 126.58 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 167.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.585 ' HB2' HD13 ' A' ' 71' ' ' ILE . 19.0 t -74.23 -46.89 38.83 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.557 -167.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -155.01 -75.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.338 -176.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -91.54 -83.48 0.28 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.833 0.349 . . . . 0.0 111.086 -178.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -137.95 33.37 2.26 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 121.02 -0.609 . . . . 0.0 111.904 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.501 HG13 ' HB3' ' A' ' 65' ' ' SER . 8.1 p -116.29 142.8 28.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 -178.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.45 HG13 HD13 ' A' ' 64' ' ' ILE . 4.4 mp -105.44 122.6 58.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.585 HD13 ' HB2' ' A' ' 65' ' ' SER . 1.6 mp -113.23 123.82 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.625 ' HB ' HD21 ' A' ' 39' ' ' LEU . 4.8 mp -111.75 134.15 55.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.898 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -106.02 119.31 38.86 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.541 0.686 . . . . 0.0 110.654 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.632 ' HB2' ' HB2' ' A' ' 87' ' ' ALA . . . -114.09 123.57 49.98 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.938 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -154.79 104.53 2.52 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.388 0.614 . . . . 0.0 110.92 -174.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.33 -73.45 0.67 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 170.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -174.16 -48.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.226 172.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.679 ' HG2' ' H ' ' A' ' 79' ' ' SER . 23.2 ttp180 -146.58 177.98 8.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.969 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.679 ' H ' ' HG2' ' A' ' 78' ' ' ARG . 19.3 m 65.79 85.92 0.14 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.57 0.7 . . . . 0.0 110.384 -177.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -62.73 -30.15 71.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.841 -172.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.71 -52.81 63.54 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.95 -32.0 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.18 -176.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -60.77 -45.08 95.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.781 174.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -65.21 -44.24 88.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.852 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -56.19 -41.42 75.51 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.58 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.57 -33.64 73.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.771 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.632 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . . . -67.06 -46.19 75.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.458 177.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.634 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 77.9 mt -63.17 -48.7 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.277 177.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.89 -32.45 69.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.128 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.525 ' O ' HG23 ' A' ' 94' ' ' VAL . 23.1 tpt180 -66.21 -49.78 66.1 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.817 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.8 pp -66.54 -36.23 82.18 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.496 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 88' ' ' ILE . 88.3 t -61.51 -42.91 95.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.427 176.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.96 91.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 177.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 90' ' ' ARG . 63.3 t -63.58 -49.22 83.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.458 177.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 91' ' ' LEU . 83.1 mt -59.35 -45.49 93.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.761 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 98.2 mttt -65.04 -24.27 67.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.548 0.213 . . . . 0.0 111.503 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -77.14 -43.72 32.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.784 0.326 . . . . 0.0 111.308 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.0 mp -75.97 -33.01 59.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.674 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 81.1 p -99.84 8.72 43.96 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.603 -176.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 96' ' ' LYS . . . . . . . . 0 C--O 1.235 0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.399 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.9 m . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.8 m -136.22 106.44 6.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 -176.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.0 p -140.77 130.36 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.082 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -156.82 128.19 6.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.6 176.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -154.24 137.29 15.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.847 0.356 . . . . 0.0 111.166 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.0 pp -145.44 146.53 31.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.083 177.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.485 ' HD2' ' C ' ' A' ' 132' ' ' ARG . 1.6 ppt_? -149.7 173.5 13.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.876 -177.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLY . . . . . 0.429 ' C ' ' HD2' ' A' ' 134' ' ' LYS . . . 136.72 143.0 4.53 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.274 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.429 ' HD2' ' C ' ' A' ' 133' ' ' GLY . 4.4 mptp? -126.08 132.9 51.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.794 0.297 . . . . 0.0 111.082 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.5 p -156.11 130.37 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -116.19 118.82 33.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.9 0.381 . . . . 0.0 110.894 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -100.64 109.33 57.18 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.115 175.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -86.35 163.26 9.75 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 123.083 2.522 . . . . 0.0 112.724 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -165.73 142.7 5.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.509 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -135.66 172.17 13.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 35.9 tp -157.1 118.94 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.777 0.322 . . . . 0.0 111.57 -173.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -130.46 99.77 5.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.206 0.527 . . . . 0.0 110.742 171.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -121.84 144.7 48.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.136 174.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -149.47 132.48 16.22 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.486 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.477 177.341 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.6 tpt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.553 HD13 HD21 ' A' ' 15' ' ' LEU . 3.7 mp -117.24 123.94 72.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.951 0.405 . . . . 0.0 110.958 -175.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.21 95.38 5.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.801 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.615 HG13 HD13 ' A' ' 10' ' ' ILE . 35.1 mm -79.34 156.9 4.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.463 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.5 m -86.17 164.08 17.44 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.349 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.418 ' HG3' ' HB3' ' A' ' 51' ' ' TYR . 0.0 OUTLIER 67.07 71.2 0.37 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.039 -179.72 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 6' ' ' ARG . 1.1 m 75.72 -44.52 0.51 Allowed 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 114.518 1.303 . . . . 0.0 114.518 164.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.483 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 8.7 p -105.76 154.46 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 122.019 -0.426 . . . . 0.0 111.646 -171.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.4 m -135.21 156.35 49.13 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 171.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.615 HD13 HG13 ' A' ' 4' ' ' ILE . 1.4 mp -100.23 140.23 19.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.835 0.35 . . . . 0.0 110.424 -177.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.25 -175.07 0.31 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.246 -0.888 . . . . 0.0 112.815 -173.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -95.44 -55.41 3.05 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.278 -0.874 . . . . 0.0 111.803 -173.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -79.34 -14.6 58.87 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.274 0.559 . . . . 0.0 111.14 -173.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -83.15 9.8 9.68 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.86 -176.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.553 HD21 HD13 ' A' ' 2' ' ' ILE . 84.5 mt -78.01 150.53 33.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.999 0.428 . . . . 0.0 111.923 -177.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -95.96 119.42 34.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.175 176.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.2 mm -128.03 120.56 53.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-O 121.012 0.434 . . . . 0.0 110.649 -176.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.579 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -121.34 149.88 42.28 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.958 -0.564 . . . . 0.0 109.983 178.775 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.66 122.17 46.17 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.52 HD11 ' HB2' ' A' ' 38' ' ' HIS . 53.2 mt -96.61 121.23 46.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 121.311 0.577 . . . . 0.0 112.379 -173.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.3 ttt180 -114.83 94.4 4.74 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.036 -0.984 . . . . 0.0 108.387 168.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.78 132.19 34.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.54 -172.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.43 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 6.7 tp60 72.0 137.22 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 O-C-N 124.384 1.053 . . . . 0.0 111.995 175.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.81 107.08 2.53 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.669 176.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.38 138.4 58.12 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.784 0.326 . . . . 0.0 111.237 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -91.67 70.3 1.89 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.777 -0.725 . . . . 0.0 111.533 177.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.42 -75.85 2.32 Favored Glycine 0 N--CA 1.449 -0.448 0 N-CA-C 111.384 -0.686 . . . . 0.0 111.384 -176.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -85.7 161.48 19.19 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 176.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -74.25 122.67 23.2 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.276 -0.57 . . . . 0.0 110.017 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.7 t -91.27 -21.2 6.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.707 0.765 . . . . 0.0 109.217 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -128.42 175.39 8.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.345 -178.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -123.08 9.36 9.29 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.443 0.639 . . . . 0.0 109.766 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 8.6 p -93.51 11.23 29.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.556 -176.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.4 m -85.38 33.06 0.55 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.131 0.491 . . . . 0.0 110.935 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.1 t -154.19 95.76 1.87 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -153.56 148.48 26.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.85 -178.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.7 mm -99.06 124.57 52.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 175.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.579 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 55.4 t-80 -112.1 121.78 45.93 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.02 -177.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.428 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.0 pt? -132.32 148.31 52.43 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 174.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -133.35 140.34 47.33 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.17 0.51 . . . . 0.0 110.859 -175.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.509 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 60.2 t80 -107.74 102.74 11.94 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.368 -0.833 . . . . 0.0 108.873 175.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.475 ' HA ' HG23 ' A' ' 69' ' ' VAL . 12.7 t0 -106.53 136.49 46.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.235 0.54 . . . . 0.0 111.466 -173.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.436 HG12 HD12 ' A' ' 48' ' ' LEU . 43.5 mt -67.83 -44.8 85.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.466 178.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.7 mtt85 -66.27 -22.3 66.3 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.256 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.6 -13.39 59.09 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.825 0.345 . . . . 0.0 110.905 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 47.2 m -128.92 -162.89 1.23 Allowed 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.042 -176.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.9 71.0 0.5 Allowed Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 174.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.485 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 85.2 mt -69.59 145.1 94.81 Favored Pre-proline 0 C--N 1.324 -0.514 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 -173.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.485 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 15.8 Cg_exo -68.79 168.55 19.89 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 123.338 2.692 . . . . 0.0 112.916 -178.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 1.028 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -60.31 -48.01 83.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.463 -0.79 . . . . 0.0 112.201 -174.615 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.418 ' HB3' ' HG3' ' A' ' 6' ' ' ARG . 44.5 t80 -65.1 -41.4 94.97 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.987 0.423 . . . . 0.0 110.882 -177.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.443 ' HE2' ' HE2' ' A' ' 41' ' ' PHE . 37.2 t80 -65.84 -47.44 74.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.152 -175.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 1.028 ' HE2' ' HA ' ' A' ' 50' ' ' GLU . 61.4 pttt -65.02 -34.22 77.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.7 0.286 . . . . 0.0 111.113 -179.131 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -63.57 -41.2 98.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.61 0.243 . . . . 0.0 110.711 175.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.466 ' HD3' ' O ' ' A' ' 98' ' ' LEU . 3.3 mmp_? -59.08 -45.89 89.68 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.379 178.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.432 HD22 HD11 ' A' ' 70' ' ' ILE . 86.2 mt -62.83 -31.76 72.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.106 -174.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.423 HD13 ' HA ' ' A' ' 57' ' ' LEU . 4.4 mm? -91.27 -13.51 32.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.651 -177.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.2 p -99.31 -34.34 10.36 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.752 0.311 . . . . 0.0 111.525 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.432 ' HB1' HD12 ' A' ' 98' ' ' LEU . . . -83.35 90.09 7.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.23 0.538 . . . . 0.0 111.246 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.6 m -69.3 102.16 1.67 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.992 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -133.31 150.48 51.88 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.384 175.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.4 t60 -64.17 -26.66 68.62 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.641 0.258 . . . . 0.0 111.681 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.45 HD13 ' HB ' ' A' ' 108' ' ' THR . 10.1 mp -62.16 -23.86 66.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.726 0.298 . . . . 0.0 111.43 177.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.495 HD13 HG13 ' A' ' 70' ' ' ILE . 35.8 mm -79.03 127.53 38.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 175.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.506 ' OG ' HD13 ' A' ' 71' ' ' ILE . 34.5 m -74.13 -54.47 7.72 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.766 -175.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.6 t70 177.46 -48.62 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.688 0.618 . . . . 0.0 109.563 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -81.13 19.16 0.94 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.793 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.06 7.53 88.4 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.178 -177.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.475 HG23 ' HA ' ' A' ' 42' ' ' ASP . 6.7 p -89.41 142.95 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.509 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 4.0 mp -101.41 120.7 51.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.426 -176.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.506 HD13 ' OG ' ' A' ' 65' ' ' SER . 1.6 mp -112.06 123.55 67.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 0.0 109.943 177.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 45.0 mm -107.0 121.11 59.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.155 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 38.9 mtmt -118.8 109.54 16.17 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.562 174.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -125.64 129.49 49.71 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.054 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -156.87 103.93 2.09 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.45 0.643 . . . . 0.0 110.533 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -124.12 -60.4 1.43 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.245 178.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -138.01 173.1 11.99 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -178.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.42 ' HB3' ' H ' ' A' ' 79' ' ' SER . 64.3 mtp180 -71.19 -164.01 0.1 Allowed 'General case' 0 C--N 1.322 -0.616 0 O-C-N 123.137 0.273 . . . . 0.0 110.84 174.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.42 ' H ' ' HB3' ' A' ' 78' ' ' ARG . 19.6 m 71.53 89.29 0.1 Allowed 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.79 0.681 . . . . 0.0 109.529 -173.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -55.96 -31.83 63.32 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.031 -177.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -51.08 -48.84 61.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.503 174.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.83 -38.65 64.47 Favored 'General case' 0 N--CA 1.439 -1.002 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.979 -176.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -59.45 -45.01 92.8 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.0 mtm105 -65.57 -56.38 12.59 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.118 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -53.42 -45.78 69.53 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.506 0.558 . . . . 0.0 112.506 -176.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.0 -43.86 86.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.625 0.25 . . . . 0.0 111.021 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.5 -46.64 87.54 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.269 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.532 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.4 mt -62.28 -51.89 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.786 178.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -54.82 -41.65 70.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.854 0.359 . . . . 0.0 111.426 -178.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.443 ' HD3' ' HA ' ' A' ' 90' ' ' ARG . 28.0 mmt180 -68.17 -46.06 71.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.744 179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 4.1 pp -67.19 -38.39 85.28 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.775 -176.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.493 HG22 HG23 ' A' ' 2' ' ' ILE . 80.6 t -61.13 -44.39 98.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 CA-C-O 120.92 0.391 . . . . 0.0 110.344 177.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.604 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -60.52 -48.52 81.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.518 177.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.2 -47.07 88.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 O-C-N 123.363 0.414 . . . . 0.0 110.995 178.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.3 mt -52.8 -49.44 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.821 0.343 . . . . 0.0 110.578 177.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -62.95 -35.18 79.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.742 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.604 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 6.9 mm-40 -71.57 -39.03 70.86 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -177.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.466 ' O ' ' HD3' ' A' ' 55' ' ' ARG . 3.8 mm? -87.16 -23.64 24.75 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -178.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.9 m -76.77 -14.8 59.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.668 0.747 . . . . 0.0 109.195 172.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -73.31 169.64 16.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.082 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -66.68 -167.3 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 121.692 0.758 . . . . 0.0 112.518 -179.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -64.7 173.35 2.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.024 -0.989 . . . . 0.0 113.562 -171.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 81.2 tttt 75.9 -14.53 0.78 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 114.269 -1.332 . . . . 0.0 112.278 173.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 18.7 t -83.02 94.07 7.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.016 0.436 . . . . 0.0 109.862 176.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -137.58 -175.44 4.07 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.354 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.778 ' HG2' ' H ' ' A' ' 107' ' ' ALA . 31.9 ttm180 64.03 -166.85 0.22 Allowed 'General case' 0 CA--C 1.544 0.732 0 O-C-N 123.491 0.494 . . . . 0.0 111.059 175.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.778 ' H ' ' HG2' ' A' ' 106' ' ' ARG . . . 76.75 10.3 2.75 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 172.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.45 ' HB ' HD13 ' A' ' 63' ' ' LEU . 23.5 p -129.44 88.44 2.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.033 0.444 . . . . 0.0 111.861 -178.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 11.0 mmt85 -138.48 83.8 20.22 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.604 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -96.21 95.21 0.09 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.041 0 C-N-CA 123.504 2.803 . . . . 0.0 111.5 173.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.9 p -85.47 83.14 8.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.254 0.55 . . . . 0.0 112.22 -175.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -125.28 92.17 3.57 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.979 174.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -156.05 107.93 2.55 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.532 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.5 t -172.08 116.92 0.37 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.976 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -171.17 113.02 0.38 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.478 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -151.15 150.71 30.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.039 175.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -159.05 -174.87 4.96 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -134.17 158.46 43.6 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 173.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 57.1 tp -165.04 101.13 0.76 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.939 0.399 . . . . 0.0 110.804 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 30.4 p -143.31 118.27 10.0 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.708 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 28.1 m -148.21 114.74 5.96 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.715 0.293 . . . . 0.0 110.759 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.426 ' HE3' ' HB2' ' A' ' 122' ' ' LYS . 20.1 ptmt -142.5 116.51 9.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.569 176.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -131.37 105.64 7.75 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.665 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -145.63 122.01 10.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? -124.38 124.72 42.96 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.152 -172.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.2 t -135.38 97.55 3.73 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 174.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.4 p -99.94 97.82 8.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.163 0.506 . . . . 0.0 110.886 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 29.9 m -131.5 6.05 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.769 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.686 ' HE3' HD23 ' A' ' 131' ' ' LEU . 6.5 tmtm? -94.89 107.61 19.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.045 -177.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -131.01 147.58 52.65 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.686 HD23 ' HE3' ' A' ' 129' ' ' LYS . 2.5 pp -148.54 165.35 31.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.869 0.366 . . . . 0.0 111.558 -175.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -142.68 -175.39 4.46 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.574 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 143.42 88.25 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.792 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 55.0 tttm -135.43 97.91 3.82 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.006 0.432 . . . . 0.0 110.364 -178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 9.6 p -137.32 134.82 47.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.049 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -96.78 112.24 24.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.174 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 137' ' ' ARG . 5.8 tpp180 -141.46 90.23 9.03 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.681 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -91.09 124.86 0.93 Allowed 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 123.005 2.47 . . . . 0.0 112.948 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.67 96.17 6.16 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.721 175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -101.08 141.7 33.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.271 -0.422 . . . . 0.0 109.921 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 141' ' ' LEU . 1.2 pt? -145.56 95.24 2.62 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.343 0.592 . . . . 0.0 109.947 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -109.54 176.43 5.08 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.888 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -133.46 138.82 46.35 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.993 -179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 84.6 t60 -141.52 120.74 13.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.861 0.362 . . . . 0.0 110.948 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -175.12 151.14 1.26 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.617 174.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 -83.44 136.29 34.36 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -81.36 123.68 28.75 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.11 0.481 . . . . 0.0 111.584 -174.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 6.6 m170 . . . . . 0 C--O 1.243 0.714 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.256 169.899 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ptt? . . . . . 0 N--CA 1.482 1.168 0 CA-C-O 120.738 0.304 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 4.2 mp -104.89 129.97 56.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.204 -178.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.82 117.33 29.95 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.379 -178.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 5' ' ' SER . 23.0 mm -106.71 166.2 3.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 177.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.442 ' N ' HG22 ' A' ' 4' ' ' ILE . 58.0 m -56.79 160.37 3.45 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 -176.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.476 ' HG2' ' OH ' ' A' ' 52' ' ' TYR . 27.3 mmm180 66.97 -88.54 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.873 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.3 p -146.72 1.99 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.727 0.299 . . . . 0.0 111.117 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.42 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 55.8 t -78.65 122.88 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.839 0.352 . . . . 0.0 110.594 -172.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.0 m -123.03 149.87 43.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.084 0.468 . . . . 0.0 110.151 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.458 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 64.2 mt -115.91 129.62 71.97 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 177.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.542 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -60.47 148.38 37.8 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -62.13 -24.85 67.4 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.353 -172.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -114.87 10.59 16.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.218 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.542 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 7.1 mt-10 -73.01 -23.76 60.66 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 174.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.9 mt -85.75 122.21 29.51 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.555 171.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -75.51 115.07 14.79 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.202 0.525 . . . . 0.0 111.361 -176.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.5 mm -86.5 118.55 33.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.084 178.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.412 ' O ' ' HB3' ' A' ' 38' ' ' HIS . 0.3 OUTLIER -122.84 150.24 43.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.003 -176.323 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.47 145.07 25.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.516 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.62 ' CG1' ' HB2' ' A' ' 38' ' ' HIS . 40.1 mt -97.05 126.73 49.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.859 0.362 . . . . 0.0 110.592 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -121.84 10.47 10.24 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.007 -176.077 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -162.29 164.52 27.49 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -178.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 71.37 70.18 0.17 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.837 0.827 . . . . 0.0 110.296 -177.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.07 117.79 0.65 Allowed Glycine 0 N--CA 1.447 -0.614 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.212 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.8 -171.43 3.86 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.736 0.303 . . . . 0.0 111.121 -175.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -155.02 -57.75 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.15 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 168.63 -165.69 39.05 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.574 -0.61 . . . . 0.0 111.574 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -71.15 156.43 39.6 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 60.1 m80 68.81 3.13 3.8 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.205 -176.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.6 t -124.35 140.55 47.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.6 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -90.75 150.36 21.65 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.888 0.375 . . . . 0.0 110.517 177.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.487 ' NZ ' ' HB2' ' A' ' 32' ' ' LYS . 10.2 mtmp? -77.66 120.43 22.59 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.405 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.2 t -153.07 159.96 42.88 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.457 -178.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.5 p -145.04 100.6 3.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.961 0.41 . . . . 0.0 111.587 -176.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.432 ' OG ' ' HG3' ' A' ' 78' ' ' ARG . 32.0 t -90.92 66.13 5.84 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 173.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.581 ' HB3' HD12 ' A' ' 20' ' ' ILE . . . -121.94 157.23 31.69 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.392 -171.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 49.7 mm -100.22 133.69 42.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.678 177.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.62 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 57.9 t-80 -124.25 121.83 36.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.043 0.449 . . . . 0.0 110.535 -178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.42 HD23 ' N ' ' A' ' 39' ' ' LEU . 1.8 pt? -133.0 149.3 52.23 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 174.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 36.1 ptt180 -133.57 132.93 41.44 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.955 0.407 . . . . 0.0 111.126 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -113.03 118.4 34.69 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.123 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.441 ' OD2' ' HB2' ' A' ' 44' ' ' ARG . 9.7 t0 -105.65 134.38 48.87 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.635 174.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.1 mp -55.45 -43.08 70.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.741 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.441 ' HB2' ' OD2' ' A' ' 42' ' ' ASP . 56.4 mtt180 -64.28 -15.77 60.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.001 -0.545 . . . . 0.0 112.247 -177.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.53 -23.23 60.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.058 0.456 . . . . 0.0 110.461 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.2 t -122.38 -162.12 0.98 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.521 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.23 67.71 0.56 Allowed Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 111.528 -0.629 . . . . 0.0 111.528 178.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 87.9 mt -76.32 144.09 74.03 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 120.764 0.316 . . . . 0.0 111.665 -176.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -68.46 161.35 45.34 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 123.0 2.466 . . . . 0.0 112.037 173.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.509 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 70.8 mm-40 -62.23 -31.64 72.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.096 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -52.89 -51.0 62.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.516 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.476 ' OH ' ' HG2' ' A' ' 6' ' ' ARG . 85.9 m-85 -81.06 -34.41 32.74 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.636 -178.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 0.7 OUTLIER -57.03 -43.7 82.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.828 178.656 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.855 HE21 ' HA ' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -70.91 -35.41 72.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.336 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.558 ' HD2' ' O ' ' A' ' 98' ' ' LEU . 29.2 mmt180 -60.99 -44.53 97.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.677 0.275 . . . . 0.0 111.471 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 52' ' ' TYR . 86.7 mt -69.15 -41.54 77.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.774 -176.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.9 mt -79.4 -16.43 56.22 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -172.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.5 p -90.86 -34.92 15.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.071 0.462 . . . . 0.0 111.719 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.17 99.05 6.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.241 -177.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.2 m -57.33 120.63 8.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.238 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 62.7 m80 -140.6 152.06 45.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.63 177.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -81.45 -12.45 58.89 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 174.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.613 ' HB3' HG23 ' A' ' 70' ' ' ILE . 8.6 mp -59.47 -37.37 78.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.189 -1.369 . . . . 0.0 109.156 169.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.564 HD13 HG12 ' A' ' 70' ' ' ILE . 29.9 mm -78.8 124.28 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 174.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.458 ' OG ' HD13 ' A' ' 71' ' ' ILE . 16.8 m -97.16 -83.57 0.39 Allowed 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.54 -175.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -141.08 -52.84 0.46 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.722 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -74.64 14.27 0.51 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.246 -0.434 . . . . 0.0 112.07 -174.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.82 26.13 72.11 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.372 -173.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 8.7 p -105.57 144.15 15.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.188 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.613 HG23 ' HB3' ' A' ' 63' ' ' LEU . 51.1 mt -99.64 118.13 45.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.626 -178.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.458 HD13 ' OG ' ' A' ' 65' ' ' SER . 1.7 mp -96.3 122.62 47.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.942 0.401 . . . . 0.0 110.33 177.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 48.0 mm -108.34 122.75 63.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.872 177.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -120.25 116.84 26.39 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.369 -178.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -135.98 142.1 44.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.998 -178.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.537 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 18.2 pt20 -166.45 104.8 0.62 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.909 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -126.39 -68.66 0.8 Allowed 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.842 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.416 ' HB2' HD21 ' A' ' 82' ' ' LEU . 44.9 m-85 -102.62 14.57 31.62 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -174.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.432 ' HG3' ' OG ' ' A' ' 35' ' ' SER . 57.9 ttp85 69.04 -43.25 0.51 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.6 0.563 . . . . 0.0 112.139 -177.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.1 m -46.1 114.25 0.76 Allowed 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.338 0.59 . . . . 0.0 111.634 178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -39.71 78.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.803 -1.09 . . . . 0.0 111.734 -174.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -58.79 -54.82 42.75 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -175.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.416 HD21 ' HB2' ' A' ' 77' ' ' PHE . 4.0 pp -73.48 -36.3 65.79 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.464 -174.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -63.68 -32.98 74.64 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.627 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.6 mtp-105 -64.98 -57.48 8.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.397 0.618 . . . . 0.0 110.663 173.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -66.74 -32.55 73.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.974 -173.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.543 ' O ' ' HG2' ' A' ' 90' ' ' ARG . . . -68.74 -43.14 76.52 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 121.215 -0.194 . . . . 0.0 110.531 175.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.81 -43.63 90.6 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.819 0.343 . . . . 0.0 110.589 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.656 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 77.5 mt -61.87 -48.72 87.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.463 177.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.12 77.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.224 179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 86' ' ' ALA . 26.1 mmm180 -60.67 -42.52 97.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.905 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.5 pp -74.33 -36.47 63.68 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.248 -179.247 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.624 ' O ' ' HG3' ' A' ' 96' ' ' LYS . 92.3 t -62.33 -41.71 92.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.225 176.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.99 85.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.444 -0.343 . . . . 0.0 110.932 177.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 83.2 t -60.42 -44.84 97.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.309 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 64.1 mt -53.57 -47.82 59.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.815 176.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' ' 92' ' ' VAL . 26.0 mtpp -70.35 -23.58 62.83 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.358 -175.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -75.13 -47.64 27.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.118 0.485 . . . . 0.0 110.537 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.558 ' O ' ' HD2' ' A' ' 55' ' ' ARG . 9.9 mp -68.69 -30.31 68.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.878 -177.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.0 p -80.59 -3.03 48.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.86 0.362 . . . . 0.0 111.774 -177.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.64 131.06 35.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.182 178.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -65.4 121.54 15.09 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.608 177.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 68.04 99.61 0.05 Allowed 'General case' 0 C--O 1.233 0.221 0 O-C-N 124.002 0.814 . . . . 0.0 110.413 -177.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.99 124.58 28.39 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.432 -174.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.8 t -76.32 -30.64 57.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.053 177.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 105' ' ' ARG . 9.0 ttm180 -81.32 105.02 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.385 -178.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.7 ttt180 -164.92 109.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.177 -179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -141.6 31.39 1.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.387 178.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 15.3 t -146.52 169.41 19.0 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.233 -176.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -113.69 140.99 25.32 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.263 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -56.89 117.73 4.46 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 123.097 2.531 . . . . 0.0 112.759 -176.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.4 t -81.63 -19.01 42.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.284 177.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -110.37 117.47 33.71 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 174.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -94.11 20.32 8.11 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.409 -175.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.4 m -66.62 107.18 2.02 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 176.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -101.9 82.48 2.25 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.554 -171.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -121.37 80.54 1.67 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 168.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -92.35 99.52 12.26 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.828 -172.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 118' ' ' ARG . 4.6 mpt_? -95.14 -54.86 3.28 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.572 174.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 95.7 mt 58.16 -167.91 0.14 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.382 -177.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.7 t -178.12 101.91 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 46.8 m -102.59 126.45 49.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.279 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -131.27 134.64 46.6 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -89.05 153.73 20.76 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.81 0.338 . . . . 0.0 110.701 -178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -101.31 164.58 11.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.752 0.311 . . . . 0.0 110.21 177.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -103.8 103.22 13.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.445 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 62.1 m -131.13 99.14 4.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.016 178.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 6.5 p -141.26 149.42 41.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.372 -177.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 30.9 m -104.1 -176.28 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.236 -0.438 . . . . 0.0 109.866 175.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -144.37 168.86 19.08 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.521 -0.178 . . . . 0.0 110.521 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.43 156.96 30.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.714 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 131' ' ' LEU . 1.2 tm? -118.85 -60.62 1.74 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.851 0.358 . . . . 0.0 110.531 -175.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -103.8 177.38 4.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.841 -175.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -107.84 -119.72 4.41 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -150.86 175.93 11.56 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.716 0.293 . . . . 0.0 110.56 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.9 p -136.43 134.26 49.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.107 0.479 . . . . 0.0 110.906 177.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -104.41 143.67 32.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.669 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.606 ' HA ' ' HE ' ' A' ' 137' ' ' ARG . 1.3 mmp_? -128.34 88.59 52.15 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-O 120.786 0.327 . . . . 0.0 110.291 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -81.12 110.13 2.25 Favored 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 123.125 2.55 . . . . 0.0 112.706 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 91.0 mt -103.42 156.77 17.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.976 178.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -145.0 144.83 31.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 111.363 -176.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 6.0 tt -127.55 123.02 34.82 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -74.09 137.45 43.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.343 0.592 . . . . 0.0 112.293 -172.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -113.9 140.73 48.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.42 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -140.97 137.71 33.25 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 173.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 18.1 t-160 -77.01 116.27 17.52 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.98 0.419 . . . . 0.0 109.887 178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -75.02 134.17 41.48 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.96 -178.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -128.91 179.8 5.53 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 173.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 11.0 p80 . . . . . 0 C--O 1.246 0.877 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.594 178.485 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.836 HD11 HD11 ' A' ' 15' ' ' LEU . 48.9 mm -98.34 120.56 47.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.524 0.202 . . . . 0.0 110.488 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -117.12 118.35 32.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.633 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.635 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 33.4 mm -109.46 165.34 5.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.457 -179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.461 ' N ' HG22 ' A' ' 4' ' ' ILE . 2.9 p -63.29 169.84 3.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.981 0.42 . . . . 0.0 112.121 -178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 69.09 -83.63 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.498 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -164.32 20.11 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.11 0.481 . . . . 0.0 110.64 -176.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.635 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 39.6 t -95.8 127.69 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.776 -176.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 m -140.61 147.44 39.38 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.932 0.396 . . . . 0.0 110.42 176.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.549 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 4.8 mp -129.43 139.4 51.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.542 -177.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.22 142.3 58.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.915 0.388 . . . . 0.0 110.543 177.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -63.03 -24.11 67.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.844 -177.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -76.61 -7.01 54.39 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.235 -176.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.55 -11.33 56.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.668 0.271 . . . . 0.0 111.341 -179.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.836 HD11 HD11 ' A' ' 2' ' ' ILE . 91.8 mt -85.22 136.24 33.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.908 0.385 . . . . 0.0 111.763 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.475 ' OE1' ' HD2' ' A' ' 40' ' ' ARG . 34.3 mt-10 -86.59 95.33 9.72 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.85 173.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.8 mm -95.61 113.49 30.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.555 -178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 p -117.9 145.43 44.65 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.108 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.95 130.63 34.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.917 0.389 . . . . 0.0 110.986 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.733 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 60.8 mt -81.75 126.22 39.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.43 178.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.33 116.04 3.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.521 174.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.51 -83.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.696 0.284 . . . . 0.0 110.562 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -147.69 -0.78 0.62 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.938 0.399 . . . . 0.0 110.693 176.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.07 -167.17 39.52 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.955 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -149.55 173.1 13.99 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.513 -0.18 . . . . 0.0 110.513 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.68 145.78 5.06 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.489 -0.862 . . . . 0.0 112.493 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.26 -80.27 0.85 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.509 178.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -122.97 -175.17 3.11 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.327 -0.249 . . . . 0.0 110.327 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.0 m80 -84.39 132.88 34.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.887 0.375 . . . . 0.0 111.168 -173.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.93 138.85 43.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.944 176.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -102.6 -13.91 16.96 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.034 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -81.93 79.78 8.37 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.383 0.611 . . . . 0.0 109.567 171.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 1.5 p -85.88 -179.72 6.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.065 -178.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.7 t -81.63 94.7 6.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.974 0.416 . . . . 0.0 110.177 -176.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.4 m -144.22 91.98 2.27 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.322 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.733 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -146.96 147.81 31.1 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.577 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 47.4 mm -100.96 117.89 46.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.234 0.54 . . . . 0.0 111.688 -172.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.624 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 47.6 t-80 -113.68 108.02 16.56 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.405 174.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.57 HD21 ' HB1' ' A' ' 87' ' ' ALA . 2.4 pt? -129.06 148.94 51.06 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.055 0.455 . . . . 0.0 110.402 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.475 ' HD2' ' OE1' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -123.95 121.37 35.12 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.506 178.766 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.479 ' HE2' ' HG ' ' A' ' 48' ' ' LEU . 37.1 t80 -99.12 102.55 14.26 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 175.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.546 ' HA ' HG23 ' A' ' 69' ' ' VAL . 25.8 t70 -95.27 140.34 30.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.456 0.646 . . . . 0.0 111.384 -174.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.3 mp -91.4 -39.55 11.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 114.978 -1.01 . . . . 0.0 110.07 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.51 -36.84 64.64 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.457 -177.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.76 -3.74 13.42 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 122.632 0.373 . . . . 0.0 111.833 177.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.8 t 67.23 119.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 122.258 1.028 . . . . 0.0 111.64 -177.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -157.01 -66.88 0.01 OUTLIER Glycine 0 N--CA 1.443 -0.835 0 CA-C-N 114.03 -1.441 . . . . 0.0 110.115 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.479 ' HG ' ' HE2' ' A' ' 41' ' ' PHE . 89.2 mt -75.72 145.82 79.02 Favored Pre-proline 0 C--N 1.322 -0.625 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 173.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.56 151.25 39.23 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.383 2.055 . . . . 0.0 110.958 172.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.907 ' HG3' ' HD2' ' A' ' 53' ' ' LYS . 22.4 tt0 -65.5 -20.52 66.38 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.807 0.337 . . . . 0.0 111.554 -171.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -68.62 -26.36 65.31 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.605 -0.27 . . . . 0.0 111.295 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -82.11 -34.95 29.02 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 171.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.907 ' HD2' ' HG3' ' A' ' 50' ' ' GLU . 1.0 OUTLIER -59.4 -40.69 87.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 114.759 -1.109 . . . . 0.0 111.033 177.738 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 84.2 mm-40 -60.82 -44.08 97.37 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.818 177.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -56.12 -49.04 75.02 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.806 HD23 HD22 ' A' ' 98' ' ' LEU . 80.4 mt -65.45 -28.59 69.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.764 -175.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 79.9 mt -85.82 -22.52 27.58 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.501 -178.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.4 p -84.15 -33.89 24.16 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.889 -0.324 . . . . 0.0 111.54 178.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -112.8 101.19 9.28 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.755 0.312 . . . . 0.0 111.438 -177.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.4 m -68.83 99.09 0.99 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.891 -0.781 . . . . 0.0 108.891 173.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.41 ' HD2' HG13 ' A' ' 94' ' ' VAL . 13.7 t60 -99.66 27.9 5.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.33 -170.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 68.6 m-70 72.18 -56.61 0.64 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.67 0.788 . . . . 0.0 110.986 177.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.4 -19.71 65.68 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.751 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.1 mm -82.44 124.46 39.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 173.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 49.9 m -57.28 -66.13 0.51 Allowed 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.193 0.308 . . . . 0.0 110.882 -178.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t70 177.87 -53.39 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.576 -178.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -81.22 -25.36 36.75 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.432 0.53 . . . . 0.0 112.432 -174.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 134.53 52.08 0.07 OUTLIER Glycine 0 C--O 1.228 -0.279 0 C-N-CA 119.974 -1.108 . . . . 0.0 113.778 175.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.546 HG23 ' HA ' ' A' ' 42' ' ' ASP . 12.8 p -138.42 144.11 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 173.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 30.1 mt -115.55 117.2 54.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.703 0.287 . . . . 0.0 110.444 -177.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.559 ' HB ' ' CG ' ' A' ' 110' ' ' PRO . 3.2 mp -104.97 123.28 58.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 176.075 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.543 ' HB ' HD21 ' A' ' 39' ' ' LEU . 4.2 mp -98.87 129.47 49.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -109.38 99.72 8.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.046 -177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.577 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -107.33 124.34 49.66 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.21 0.529 . . . . 0.0 111.035 -177.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -157.68 107.53 2.16 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.724 178.12 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.598 ' HB3' HD21 ' A' ' 83' ' ' ASN . 34.8 tt0 -145.38 -76.95 0.21 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.469 -176.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.403 ' HB3' HD21 ' A' ' 82' ' ' LEU . 16.4 t80 -114.51 173.82 6.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.595 -172.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 78' ' ' ARG . 2.9 ptm180 -77.04 -3.7 40.46 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.639 -176.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.478 ' HB2' ' CD2' ' A' ' 82' ' ' LEU . 50.0 m -97.09 111.48 23.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.969 0.414 . . . . 0.0 110.573 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.441 HE21 ' HB2' ' A' ' 80' ' ' GLN . 1.5 mp0 -62.72 -32.98 74.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.1 -178.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -56.77 -53.95 51.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.271 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.478 ' CD2' ' HB2' ' A' ' 79' ' ' SER . 4.1 pp -65.88 -35.34 80.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.034 0.445 . . . . 0.0 110.495 -177.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.598 HD21 ' HB3' ' A' ' 76' ' ' GLU . 0.3 OUTLIER -64.28 -38.56 91.49 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.673 176.208 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.3 mtp85 -65.48 -50.12 66.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -59.2 -45.25 91.56 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.337 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.531 ' O ' ' HB2' ' A' ' 90' ' ' ARG . . . -66.38 -28.8 68.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.925 178.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.57 ' HB1' HD21 ' A' ' 39' ' ' LEU . . . -70.62 -46.66 62.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.928 0.394 . . . . 0.0 110.621 177.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.606 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 79.3 mt -65.01 -48.54 83.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.532 177.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.89 -25.45 68.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.017 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.531 ' HB2' ' O ' ' A' ' 86' ' ' ALA . 0.0 OUTLIER -65.72 -49.13 69.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.332 177.725 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.3 pp -69.73 -35.48 75.05 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.497 -176.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 88' ' ' ILE . 85.9 t -62.33 -39.69 85.12 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.29 177.062 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -63.22 -44.25 95.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.387 177.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.41 HG13 ' HD2' ' A' ' 61' ' ' HIS . 71.2 t -58.07 -43.77 85.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 178.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 91' ' ' LEU . 82.9 mt -57.41 -42.73 81.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 121.065 0.459 . . . . 0.0 110.402 177.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -71.42 -31.73 67.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.556 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 93' ' ' ALA . 57.3 mt-10 -68.54 -28.27 66.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.608 0.242 . . . . 0.0 111.566 -179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.806 HD22 HD23 ' A' ' 56' ' ' LEU . 10.7 mp -93.39 -30.96 14.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 112.046 179.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.2 p -77.42 -44.95 27.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 122.228 -0.295 . . . . 0.0 110.724 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -98.73 153.74 18.5 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 173.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -73.11 91.18 1.6 Allowed 'General case' 0 N--CA 1.441 -0.906 0 CA-C-O 120.923 0.392 . . . . 0.0 110.414 -177.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -124.93 -74.16 0.62 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.982 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 93.0 mttt 57.48 94.61 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.804 0.69 . . . . 0.0 112.305 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 10.8 t -112.54 172.2 7.06 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 175.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.5 mtt85 -87.77 146.45 25.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.77 0.319 . . . . 0.0 111.099 -177.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -172.81 108.96 0.19 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.49 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.66 84.47 3.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.023 0.439 . . . . 0.0 111.615 -174.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 30.9 m -155.77 104.39 2.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.942 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -113.46 107.88 52.81 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-O 120.958 0.409 . . . . 0.0 110.964 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.559 ' CG ' ' HB ' ' A' ' 71' ' ' ILE . 62.3 Cg_endo -93.02 132.67 0.94 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.388 2.725 . . . . 0.0 112.08 175.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.514 ' O ' ' HG3' ' A' ' 112' ' ' ARG . 26.6 m -116.1 97.46 6.08 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.671 -0.24 . . . . 0.0 111.634 -176.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 111' ' ' THR . 52.3 mtt180 -166.85 94.85 0.5 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.135 0.574 . . . . 0.0 110.272 173.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -116.15 151.33 35.88 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.922 0.391 . . . . 0.0 111.477 -175.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 43.1 m -118.65 106.22 12.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.508 175.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -119.78 130.18 54.82 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.298 -168.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -154.21 151.17 28.87 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 176.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -142.39 94.39 2.65 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 123.216 0.322 . . . . 0.0 110.516 176.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -92.81 148.81 21.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.141 0.496 . . . . 0.0 110.58 174.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.4 pp -129.4 157.06 43.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.851 -178.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.0 m -152.82 120.51 6.04 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.156 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 50.3 m -147.09 108.88 4.37 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.855 0.359 . . . . 0.0 111.164 178.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.521 ' HD3' ' O ' ' A' ' 122' ' ' LYS . 0.1 OUTLIER -126.51 144.92 50.71 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.793 176.177 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -138.69 132.02 30.16 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.798 0.332 . . . . 0.0 111.167 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -130.88 149.52 52.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.296 177.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -147.27 134.11 20.13 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 10.2 p -113.22 114.61 26.97 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.069 0.462 . . . . 0.0 110.824 -178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 20.2 m -119.37 105.09 10.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.388 178.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.6 m -134.27 133.94 55.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.746 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -165.54 118.78 1.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.162 176.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.15 109.36 8.3 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.924 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -111.09 171.39 7.5 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.992 0.425 . . . . 0.0 110.717 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -149.96 148.61 29.3 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.039 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -123.08 179.76 16.03 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.133 -1.032 . . . . 0.0 112.819 -175.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -120.48 143.93 48.27 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.2 p -108.66 142.58 20.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.283 0.563 . . . . 0.0 111.688 -174.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -133.01 134.14 44.05 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 171.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 -128.85 129.76 23.46 Favored Pre-proline 0 C--N 1.321 -0.667 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.668 -175.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -87.18 166.25 8.17 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 123.18 2.587 . . . . 0.0 112.611 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 57.9 tp -147.93 113.76 5.75 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.956 177.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -101.93 132.3 47.81 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.392 0.615 . . . . 0.0 110.778 -178.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 7.2 mp -106.7 6.4 29.69 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.586 177.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -66.8 118.82 10.85 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.522 -173.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -129.63 159.01 37.73 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.181 -0.918 . . . . 0.0 109.996 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -115.63 170.12 8.68 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.617 0.246 . . . . 0.0 110.384 -172.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 30.0 t60 -109.03 130.21 55.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.196 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 12.2 p-80 -97.7 149.76 21.94 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 177.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -74.53 102.9 4.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.769 0.795 . . . . 0.0 110.317 -177.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 . . . . . 0 C--O 1.246 0.894 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.248 178.003 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.447 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.4 mp -84.99 116.08 27.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 120.94 0.4 . . . . 0.0 110.248 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.46 125.4 46.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.556 178.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 5' ' ' SER . 31.5 mm -109.31 165.2 5.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.442 ' N ' HG22 ' A' ' 4' ' ' ILE . 14.9 m -60.16 160.92 7.55 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.043 -0.354 . . . . 0.0 110.043 173.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 5' ' ' SER . 4.1 mpt_? 65.03 -164.35 0.25 Allowed 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -175.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -88.77 37.94 0.86 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.887 0.851 . . . . 0.0 110.582 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.9 t -103.69 130.85 53.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.17 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -142.33 153.71 44.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 177.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.413 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 66.0 mt -133.48 133.87 57.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.656 -175.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.538 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -72.28 151.69 42.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.9 0.381 . . . . 0.0 110.52 177.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -75.26 -20.54 59.12 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -173.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.7 m-80 -81.88 -5.22 58.06 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.912 0.387 . . . . 0.0 110.946 178.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.538 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 23.9 mm-40 -89.02 -2.6 58.65 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.024 -178.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.429 HD11 HD11 ' A' ' 2' ' ' ILE . 91.4 mt -82.83 136.06 34.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.677 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -85.1 102.55 13.34 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 176.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.9 mm -96.0 117.66 40.66 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.27 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.29 133.74 55.63 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.288 177.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -86.35 127.74 34.84 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.466 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.461 ' O ' ' HB2' ' A' ' 34' ' ' SER . 53.0 mt -75.03 123.14 30.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.592 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -95.08 -61.29 1.51 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.586 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.534 ' O ' ' HA ' ' A' ' 32' ' ' LYS . . . 56.39 87.72 0.05 Allowed 'General case' 0 C--O 1.234 0.274 0 O-C-N 124.169 0.918 . . . . 0.0 111.913 -179.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -82.19 82.17 7.82 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.784 176.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.66 -151.65 21.02 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.51 -179.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 71.12 162.14 0.24 Allowed 'General case' 0 C--O 1.235 0.312 0 C-N-CA 123.306 0.642 . . . . 0.0 111.701 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.07 -51.25 4.54 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.938 -0.649 . . . . 0.0 112.162 179.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 118.47 -17.82 11.15 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.896 -0.668 . . . . 0.0 112.017 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -89.49 163.09 15.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.828 0.347 . . . . 0.0 110.156 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -79.8 116.35 19.92 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.374 0.607 . . . . 0.0 110.395 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.525 HG13 ' H ' ' A' ' 32' ' ' LYS . 11.0 p -121.65 -28.59 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.805 -178.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.492 ' O ' ' HG2' ' A' ' 32' ' ' LYS . 2.2 m-20 59.08 33.97 23.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.595 176.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.534 ' HA ' ' O ' ' A' ' 22' ' ' ALA . 16.6 ptpt 55.25 20.05 3.27 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.532 1.133 . . . . 0.0 111.752 -178.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.7 p -128.04 76.8 1.72 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.024 0.44 . . . . 0.0 110.909 179.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.461 ' HB2' ' O ' ' A' ' 20' ' ' ILE . 50.9 m -75.3 -51.21 13.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.637 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.5 m 62.78 26.82 15.8 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 123.755 0.66 . . . . 0.0 110.617 -178.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.457 ' HB3' HD12 ' A' ' 20' ' ' ILE . . . -91.85 175.86 6.73 Favored 'General case' 0 N--CA 1.443 -0.783 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.596 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.9 mm -99.93 135.72 34.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.799 -173.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.411 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 49.7 t-80 -148.08 133.18 18.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.511 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -139.25 150.45 45.5 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.893 0.378 . . . . 0.0 110.25 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.6 ptt180 -126.17 123.27 37.87 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.177 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -116.17 109.48 17.51 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.183 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -110.95 158.9 18.24 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.08 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.0 mp -62.41 -43.3 98.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.264 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.45 HH12 ' CD ' ' A' ' 116' ' ' GLU . 25.5 tpt180 -60.23 -30.15 69.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.767 -174.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.36 -27.87 69.61 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 p -129.81 -175.65 3.67 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.115 0.484 . . . . 0.0 111.353 -175.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.05 65.51 0.25 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.107 178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.6 mt -75.24 144.51 78.66 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.437 -0.209 . . . . 0.0 110.437 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -61.49 156.03 49.24 Favored 'Trans proline' 0 CA--C 1.531 0.338 0 C-N-CA 122.755 2.303 . . . . 0.0 112.258 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.574 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 2.2 mp0 -61.08 -41.2 96.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 0.0 110.669 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -66.42 -22.98 66.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.328 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.472 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -79.36 -44.17 22.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.824 173.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 59.4 mttp -52.82 -41.49 64.25 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.75 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 30.8 mm-40 -54.8 -56.72 16.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.661 -177.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 46.1 mtt180 -75.52 -24.63 56.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -171.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.587 ' HA ' HD23 ' A' ' 98' ' ' LEU . 91.2 mt -72.07 -41.72 67.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.754 0.311 . . . . 0.0 111.414 -177.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 57' ' ' LEU . 4.1 mm? -82.57 -17.76 43.73 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 112.173 0.435 . . . . 0.0 112.173 -174.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.835 ' HB ' HG23 ' A' ' 108' ' ' THR . 3.1 p -76.12 -34.42 59.46 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -176.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.28 117.04 10.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.328 0.585 . . . . 0.0 111.781 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.405 ' HB2' ' HB3' ' A' ' 107' ' ' ALA . 8.4 m -85.38 88.94 7.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.001 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -131.09 136.82 48.74 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -67.79 -5.8 18.12 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -172.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 92.0 mt -69.83 -26.53 64.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.29 0.567 . . . . 0.0 109.586 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.443 ' CD1' HG12 ' A' ' 70' ' ' ILE . 24.0 mm -85.37 131.43 34.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 174.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 27.8 m -81.43 -85.35 0.1 Allowed 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.572 -176.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.416 ' C ' ' H ' ' A' ' 68' ' ' GLY . 37.2 t70 -163.93 -38.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.93 -0.308 . . . . 0.0 111.163 179.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -72.87 20.2 0.08 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 66' ' ' ASP . . . 66.77 38.17 92.87 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.807 -0.711 . . . . 0.0 111.573 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.7 143.8 39.59 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.547 0 CA-C-N 115.592 -0.304 . . . . 0.0 110.232 -178.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.443 HG12 ' CD1' ' A' ' 64' ' ' ILE . 40.6 mt -94.29 119.56 42.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.034 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.5 mp -104.29 118.46 51.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.297 0.57 . . . . 0.0 110.191 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.9 mm -118.7 129.19 75.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.069 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -117.44 152.97 33.91 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 173.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -152.91 126.55 8.82 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.862 0.363 . . . . 0.0 111.497 -177.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -154.87 102.18 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.76 0.79 . . . . 0.0 110.016 173.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -117.47 -75.16 0.58 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.535 179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.675 ' HB3' HD21 ' A' ' 82' ' ' LEU . 20.4 t80 -103.86 172.66 6.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 173.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.429 ' C ' ' HD2' ' A' ' 78' ' ' ARG . 7.5 ppt_? -82.21 -1.68 49.94 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.713 0.292 . . . . 0.0 111.78 -175.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.504 ' HB2' HD23 ' A' ' 82' ' ' LEU . 20.0 m -84.65 108.57 17.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.917 0.389 . . . . 0.0 110.669 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.405 ' HG2' ' N ' ' A' ' 81' ' ' GLU . 5.5 pm0 -55.76 -41.52 74.11 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -174.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.405 ' N ' ' HG2' ' A' ' 80' ' ' GLN . 0.4 OUTLIER -58.24 -45.95 86.83 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -175.711 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.675 HD21 ' HB3' ' A' ' 77' ' ' PHE . 3.5 pp -68.99 -34.51 75.42 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.481 -0.488 . . . . 0.0 110.099 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -65.14 -39.59 93.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.169 175.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 17.3 ttm-85 -57.82 -54.42 47.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.136 177.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.34 -38.15 79.63 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.986 179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.89 -42.76 94.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.701 177.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.1 -43.63 94.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.635 178.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.55 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 89.3 mt -61.26 -49.48 84.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.312 177.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.58 -40.26 82.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.01 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 94' ' ' VAL . 12.4 mmt180 -61.52 -51.43 68.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.812 177.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.6 pp -64.72 -39.04 92.97 Favored 'General case' 0 N--CA 1.462 0.151 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.725 -176.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.433 ' O ' ' HD3' ' A' ' 96' ' ' LYS . 96.2 t -64.6 -42.49 95.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.277 177.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.27 -43.37 92.5 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.858 178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.503 ' O ' HD13 ' A' ' 98' ' ' LEU . 93.1 t -62.07 -45.12 99.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.138 176.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 45.9 mt -52.56 -46.77 49.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.955 176.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.433 ' HD3' ' O ' ' A' ' 92' ' ' VAL . 9.0 mtpp -64.93 -27.86 69.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.409 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -77.51 -29.49 52.47 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.173 0.511 . . . . 0.0 110.923 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.587 HD23 ' HA ' ' A' ' 56' ' ' LEU . 10.2 mp -90.58 -43.46 10.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.315 -176.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 55.2 p -89.85 -17.78 27.45 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -170.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.72 143.46 48.01 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.707 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -79.24 63.18 3.81 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 121.546 0.688 . . . . 0.0 110.643 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -120.3 116.91 26.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.036 -177.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -63.6 169.92 3.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.445 -178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 26.2 m 63.09 40.81 8.72 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.98 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -76.85 -174.48 3.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.626 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -74.55 175.71 7.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.077 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 60' ' ' SER . . . -54.79 150.22 10.14 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.286 -177.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.835 HG23 ' HB ' ' A' ' 58' ' ' THR . 95.0 m -131.91 135.27 46.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.515 -178.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -139.06 153.01 71.16 Favored Pre-proline 0 C--N 1.331 -0.228 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 176.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.64 136.77 31.45 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.62 2.213 . . . . 0.0 112.771 -178.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.494 ' C ' ' HD2' ' A' ' 112' ' ' ARG . 4.6 t -164.74 83.79 0.4 Allowed 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.689 0.757 . . . . 0.0 111.213 177.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.494 ' HD2' ' C ' ' A' ' 111' ' ' THR . 3.9 mpt_? -138.73 111.26 7.56 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 174.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -138.8 7.89 2.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -173.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 18.8 t -157.2 147.02 20.61 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.521 -0.471 . . . . 0.0 111.394 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -139.43 134.88 32.99 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.153 176.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.45 ' CD ' HH12 ' A' ' 44' ' ' ARG . 44.8 tt0 -89.37 122.36 32.51 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.5 -0.48 . . . . 0.0 109.944 175.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -147.84 103.51 3.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.064 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 53.0 ttt180 -115.45 -54.43 2.53 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.25 177.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 10.8 mp 64.65 97.76 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.196 0 O-C-N 124.031 0.832 . . . . 0.0 110.983 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.2 m -73.87 94.85 2.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.957 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 31.4 t -138.24 131.85 30.85 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.092 -178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -118.8 110.96 17.84 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.33 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -158.74 147.88 18.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.078 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -143.92 122.29 12.35 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -178.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 56.6 pttt -155.88 145.09 20.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.72 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 68.6 m -152.77 108.58 3.33 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.268 0.556 . . . . 0.0 110.596 177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 16.7 m -94.08 110.89 22.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.997 179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 15.4 m -135.99 139.04 46.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-O 120.933 0.397 . . . . 0.0 111.972 -176.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -144.02 126.68 16.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.542 175.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -98.14 144.08 27.99 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.515 178.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -146.57 120.05 9.07 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 36.6 ttt85 -116.5 132.4 56.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -153.52 110.79 0.46 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.277 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 2.7 tmtp? -140.04 95.66 2.93 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 178.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.8 m -105.9 171.94 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.26 0.552 . . . . 0.0 111.858 -174.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 30.9 tpt180 -142.19 118.76 10.99 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.196 178.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 137' ' ' ARG . 6.9 tpt180 -120.62 98.69 48.02 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-O 120.928 0.394 . . . . 0.0 110.665 -177.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_endo -92.15 121.07 0.55 Allowed 'Trans proline' 0 N--CA 1.45 -1.078 0 C-N-CA 123.282 2.654 . . . . 0.0 112.297 178.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.446 HD12 ' O ' ' A' ' 139' ' ' LEU . 3.2 pp -126.33 141.01 52.07 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.138 175.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -113.92 151.81 31.72 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.105 -177.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 87.7 mt -124.5 126.46 45.89 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.033 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -93.2 147.34 22.97 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.174 178.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -155.47 107.72 2.66 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.343 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -173.67 136.51 0.57 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 177.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -134.3 146.22 49.8 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.76 -176.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -152.36 93.4 1.8 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.733 0.777 . . . . 0.0 109.973 171.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -132.6 116.74 17.06 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.559 -0.746 . . . . 0.0 110.522 -177.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 . . . . . 0 C--O 1.247 0.945 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.751 178.652 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.467 ' SD ' ' HA ' ' A' ' 11' ' ' ALA . 13.1 tpt . . . . . 0 N--CA 1.484 1.27 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.438 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.9 mp -107.6 119.21 56.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 120.987 0.422 . . . . 0.0 110.477 -175.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -96.83 118.67 33.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.72 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.577 HG13 HD13 ' A' ' 10' ' ' ILE . 41.1 mm -109.4 165.7 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.456 ' N ' HG22 ' A' ' 4' ' ' ILE . 9.5 t -64.3 157.54 25.81 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 176.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.758 ' HG2' ' H ' ' A' ' 7' ' ' THR . 14.6 ttm180 69.94 -176.54 0.2 Allowed 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 -175.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.758 ' H ' ' HG2' ' A' ' 6' ' ' ARG . 8.9 t -77.25 13.34 1.18 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -176.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.452 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 45.8 t -104.4 114.11 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.99 0.424 . . . . 0.0 110.952 -175.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.5 m -108.27 150.77 26.85 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 175.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.577 HD13 HG13 ' A' ' 4' ' ' ILE . 1.6 mp -113.09 135.9 51.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 120.76 0.314 . . . . 0.0 110.262 -175.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.467 ' HA ' ' SD ' ' A' ' 1' ' ' MET . . . -76.37 152.13 36.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.92 -178.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.1 -15.64 62.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.013 0.435 . . . . 0.0 110.93 178.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -78.42 -11.61 59.96 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.555 176.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -78.97 -25.54 43.47 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.018 178.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -83.03 129.98 35.09 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.226 -176.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.584 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 68.1 mm-40 -83.34 114.05 21.15 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.095 174.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.5 mm -99.2 124.52 52.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.499 -174.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.83 149.46 35.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.743 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.68 145.85 24.57 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 176.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 53.6 mt -97.93 117.7 43.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.958 0.408 . . . . 0.0 111.157 -179.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.454 ' HG3' ' HB2' ' A' ' 34' ' ' SER . 40.1 ttm180 -153.75 78.84 1.14 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.159 174.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.54 4.25 16.1 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.283 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.427 ' HG2' ' H ' ' A' ' 24' ' ' GLY . 5.2 tt0 63.22 -154.66 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 -176.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.427 ' H ' ' HG2' ' A' ' 23' ' ' GLN . . . -154.71 158.95 28.64 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.296 -0.954 . . . . 0.0 112.29 -179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.88 175.1 10.68 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.05 31.2 26.56 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.529 -0.843 . . . . 0.0 111.741 -175.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 160.71 170.25 25.07 Favored Glycine 0 N--CA 1.447 -0.597 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.596 ' NE2' ' H ' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -101.35 165.95 11.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 117.032 0.416 . . . . 0.0 110.601 176.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 65.21 15.44 10.01 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.918 -177.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 t -92.31 124.77 44.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -170.36 -30.51 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.418 -0.81 . . . . 0.0 108.857 -175.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 pttp -62.09 177.94 0.42 Allowed 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 114.979 -1.009 . . . . 0.0 111.207 174.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.3 m 72.17 18.18 4.83 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 122.019 0.914 . . . . 0.0 109.285 -175.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.454 ' HB2' ' HG3' ' A' ' 21' ' ' ARG . 26.2 p -88.25 14.9 8.43 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.094 -179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 54.6 m -148.02 94.69 2.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.968 178.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.55 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -148.8 164.59 33.98 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.139 178.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.48 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 50.5 mm -99.74 134.59 38.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.252 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.463 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 29.9 t-80 -130.14 136.12 48.94 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.433 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.584 ' HA ' ' O ' ' A' ' 16' ' ' GLU . 2.5 pt? -142.83 150.07 39.43 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.248 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.41 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 35.5 mmt180 -118.66 149.68 41.01 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.224 178.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -161.91 115.01 1.81 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 176.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.818 ' HB3' ' HB ' ' A' ' 69' ' ' VAL . 2.7 p30 -125.5 162.2 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.16 0.505 . . . . 0.0 111.495 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.559 HD11 ' HB2' ' A' ' 56' ' ' LEU . 32.2 mt -58.46 -43.27 86.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.047 -0.979 . . . . 0.0 111.545 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.422 ' HB2' ' HB3' ' A' ' 115' ' ' LYS . 2.8 mpt_? -60.87 -38.2 84.79 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.059 -174.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.748 ' HB2' ' HA ' ' A' ' 115' ' ' LYS . . . -58.82 -59.56 5.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.054 -178.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.754 ' HA ' ' HA ' ' A' ' 118' ' ' ARG . 24.8 m -90.97 -160.51 0.72 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.849 -176.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -124.64 64.42 0.55 Allowed Glycine 0 N--CA 1.449 -0.471 0 N-CA-C 111.639 -0.584 . . . . 0.0 111.639 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 90.3 mt -74.43 147.48 85.08 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-O 120.541 0.21 . . . . 0.0 111.207 -176.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 24.2 Cg_exo -64.29 146.83 90.71 Favored 'Trans proline' 0 C--O 1.236 0.386 0 C-N-CA 122.694 2.263 . . . . 0.0 111.729 176.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.771 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 12.4 pt-20 -62.44 -27.48 69.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.419 -175.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -57.41 -42.14 81.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.036 0.446 . . . . 0.0 110.126 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.424 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 78.7 m-85 -81.42 -36.94 28.88 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.217 177.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.771 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 43.7 tttm -53.65 -50.81 64.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.706 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.474 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 11.2 mm100 -63.65 -42.95 98.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.568 0.223 . . . . 0.0 111.053 -177.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -60.34 -37.55 81.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.54 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.629 HD23 ' HG ' ' A' ' 98' ' ' LEU . 97.6 mt -76.02 -35.54 59.49 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.374 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.3 mt -70.63 -46.63 62.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.655 0.264 . . . . 0.0 111.074 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 m -72.34 -61.92 1.62 Allowed 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 176.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 54.48 179.26 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 176.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 21.1 t -173.08 28.91 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.061 -1.427 . . . . 0.0 107.172 176.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.772 ' HB3' HD23 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -127.59 129.33 47.1 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.555 -1.202 . . . . 0.0 109.401 -173.678 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -82.12 45.21 0.91 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.937 0.875 . . . . 0.0 111.241 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.772 HD23 ' HB3' ' A' ' 61' ' ' HIS . 2.3 mm? -111.6 -18.01 12.9 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 114.251 -1.341 . . . . 0.0 109.168 169.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.7 mm -82.66 136.46 22.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.316 -0.857 . . . . 0.0 110.023 -177.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 1.054 ' HB3' HG13 ' A' ' 69' ' ' VAL . 40.6 t -79.04 -46.28 18.45 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.206 -178.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 65' ' ' SER . 28.5 t70 175.53 -76.66 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.47 0.481 . . . . 0.0 111.443 174.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -83.6 51.27 1.97 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.528 0.68 . . . . 0.0 111.014 -170.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 70.42 26.72 73.73 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.428 -0.806 . . . . 0.0 112.116 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 1.054 HG13 ' HB3' ' A' ' 65' ' ' SER . 3.1 p -113.58 142.69 25.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 55.9 mt -96.24 139.76 18.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.426 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.5 tp -124.21 116.23 47.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.502 0.668 . . . . 0.0 110.149 177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.538 ' HB ' HD21 ' A' ' 39' ' ' LEU . 46.8 mm -125.21 139.66 50.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.661 -178.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.48 157.26 22.21 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 171.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.48 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -152.2 123.47 7.69 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.827 178.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.402 ' O ' ' HG3' ' A' ' 75' ' ' GLN . 3.9 pt20 -166.38 104.79 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.583 0.706 . . . . 0.0 109.945 177.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.463 ' HB2' HD21 ' A' ' 83' ' ' ASN . 56.8 mm-40 -114.17 -69.24 0.87 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.562 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -111.95 -85.25 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.775 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -166.86 -21.43 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.93 -178.078 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.2 m -69.8 110.57 5.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.585 0.231 . . . . 0.0 110.438 177.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.0 mp0 -56.35 -35.86 68.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.704 -179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -50.72 -53.05 34.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.67 178.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -43.7 94.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.76 -174.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.463 HD21 ' HB2' ' A' ' 76' ' ' GLU . 13.1 m120 -71.71 -35.25 70.17 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.511 -177.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 39.5 ttp180 -64.61 -50.85 65.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.389 176.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -53.9 -47.07 71.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.213 176.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.35 -45.78 92.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.957 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.54 -45.89 84.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 111.162 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.553 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 85.1 mt -63.67 -50.08 79.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.759 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.61 89.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.656 -178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.489 ' O ' HG23 ' A' ' 94' ' ' VAL . 99.5 mtt180 -66.85 -39.81 87.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.702 -178.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 2.4 pp -68.43 -37.17 80.03 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 120.437 -0.505 . . . . 0.0 110.336 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 88' ' ' ILE . 96.4 t -63.17 -42.32 96.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-O 121.153 0.501 . . . . 0.0 110.0 176.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.07 -38.93 93.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.743 177.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.644 HG22 ' HG ' ' A' ' 63' ' ' LEU . 55.9 t -61.42 -44.65 98.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.067 178.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 91' ' ' LEU . 82.0 mt -57.57 -42.23 80.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.903 0.382 . . . . 0.0 110.624 178.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -70.35 -36.27 74.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.313 0.578 . . . . 0.0 110.487 177.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.623 ' HB3' ' CD2' ' A' ' 61' ' ' HIS . 3.0 mm-40 -58.7 -41.24 85.84 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.36 179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.629 ' HG ' HD23 ' A' ' 56' ' ' LEU . 4.0 mm? -68.64 -26.33 65.28 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -177.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.8 p -89.33 -13.79 37.11 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.808 -179.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -101.73 153.36 19.86 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.749 0.309 . . . . 0.0 110.984 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -77.08 75.96 3.64 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.015 0.436 . . . . 0.0 110.152 175.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -142.89 -175.82 4.65 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.4 -0.818 . . . . 0.0 108.826 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.614 ' HA ' ' CE1' ' A' ' 61' ' ' HIS . 39.6 ttpt -163.07 121.88 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.131 0.491 . . . . 0.0 110.743 173.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 56.8 m -132.4 152.62 51.39 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.981 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -136.54 131.98 34.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.684 -175.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.13 -56.08 0.65 Allowed 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 121.01 -0.276 . . . . 0.0 111.268 -176.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -113.23 166.01 11.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.768 0.318 . . . . 0.0 111.759 -174.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' ' 109' ' ' ARG . 34.9 m -162.87 142.94 9.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 119.068 -0.492 . . . . 0.0 109.681 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.555 ' HB2' ' HD3' ' A' ' 110' ' ' PRO . 35.4 mtm180 109.65 -64.57 0.0 OUTLIER Pre-proline 0 N--CA 1.491 1.585 0 C-N-CA 125.157 1.383 . . . . 0.0 114.423 170.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.555 ' HD3' ' HB2' ' A' ' 109' ' ' ARG . 34.4 Cg_exo -61.43 110.3 0.89 Allowed 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 121.811 1.674 . . . . 0.0 113.537 -171.193 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.649 ' HA ' ' OG ' ' A' ' 65' ' ' SER . 41.0 m -117.84 118.81 33.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.919 179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -177.23 140.05 0.28 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.793 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -99.39 173.19 6.88 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.758 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.522 ' HB3' ' HG3' ' A' ' 16' ' ' GLU . 51.6 m -153.18 43.92 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.347 0.594 . . . . 0.0 109.806 178.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.748 ' HA ' ' HB2' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -71.7 -169.73 0.47 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.877 -1.056 . . . . 0.0 113.404 -172.492 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.556 ' HG2' ' HD3' ' A' ' 115' ' ' LYS . 67.6 mm-40 70.76 71.25 0.19 Allowed 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 114.78 -1.1 . . . . 0.0 111.781 -175.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.602 ' HE ' ' HA ' ' A' ' 117' ' ' ARG . 3.0 mmp_? -142.8 -99.45 0.12 Allowed 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 175.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.754 ' HA ' ' HA ' ' A' ' 46' ' ' SER . 8.1 tmm_? 78.81 104.94 0.07 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 124.271 1.029 . . . . 0.0 112.049 173.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 56.4 tp -166.39 105.36 0.64 Allowed 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 113.649 -1.614 . . . . 0.0 109.495 176.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 38.2 m -122.79 142.41 50.76 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 14.4 t -107.25 -176.34 3.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.079 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -154.98 118.66 4.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.523 -171.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.08 152.06 35.53 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.738 0.304 . . . . 0.0 111.026 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -162.59 124.59 2.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.122 179.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.1 119.32 2.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.442 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 14.3 p -121.89 148.02 45.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.728 179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 19.4 m -131.24 130.73 43.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.623 0.249 . . . . 0.0 110.987 -178.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 24.7 m -136.6 148.82 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.461 177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -146.91 176.4 9.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.758 178.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -141.62 158.68 43.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.989 0.423 . . . . 0.0 111.421 -177.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -139.54 179.92 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.056 178.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 21.8 ptt180 -136.7 158.16 45.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.499 0.19 . . . . 0.0 110.568 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -101.28 -174.15 28.7 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.473 178.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -144.6 133.16 22.11 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.682 0.277 . . . . 0.0 110.284 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.7 m -101.17 168.11 2.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.034 0.445 . . . . 0.0 111.766 -175.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.417 ' O ' ' HD3' ' A' ' 138' ' ' PRO . 60.5 ttt180 -140.24 148.13 41.05 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.512 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 56.8 ttt180 -107.29 100.46 33.41 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.659 0.266 . . . . 0.0 110.41 178.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 136' ' ' ARG . 10.0 Cg_endo -91.0 128.61 1.29 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.26 2.64 . . . . 0.0 112.425 179.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -144.95 140.12 28.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.297 177.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -125.39 152.88 44.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -97.89 174.53 6.54 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.998 0.428 . . . . 0.0 110.938 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -107.16 168.46 9.2 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.514 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 40.5 p-80 -143.8 101.15 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.659 0.742 . . . . 0.0 110.23 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -104.74 137.58 42.33 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.179 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 28.6 p80 -130.75 159.86 36.03 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.037 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -90.76 153.06 20.53 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.995 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -148.44 150.65 33.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.705 0.288 . . . . 0.0 110.371 174.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 82.0 t60 . . . . . 0 C--O 1.246 0.909 0 CA-C-O 118.533 -0.746 . . . . 0.0 109.499 174.088 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ttt . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.492 HD11 ' HB3' ' A' ' 12' ' ' ASP . 46.8 mm -94.54 125.02 47.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.659 -179.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.11 101.83 13.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.046 0.451 . . . . 0.0 110.842 178.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.55 ' HB ' ' O ' ' A' ' 8' ' ' VAL . 34.7 mm -88.83 161.38 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 176.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.459 ' O ' ' HB3' ' A' ' 6' ' ' ARG . 4.1 p -63.29 169.55 3.54 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 120.66 0.266 . . . . 0.0 111.384 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.472 ' HG2' ' OG1' ' A' ' 7' ' ' THR . 36.8 ttt-85 73.86 -80.79 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.698 -178.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.472 ' OG1' ' HG2' ' A' ' 6' ' ' ARG . 0.7 OUTLIER -169.99 -32.82 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 120.934 0.397 . . . . 0.0 110.976 -174.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.55 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 7.7 p -60.98 132.86 26.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.998 -175.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.9 m -119.45 155.24 32.41 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.676 -178.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.0 mt -130.12 147.8 33.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.16 -178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.69 125.2 33.0 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 174.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.495 ' HA ' ' HG ' ' A' ' 15' ' ' LEU . 5.9 p-10 -72.74 -5.62 39.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.241 0.543 . . . . 0.0 111.127 -178.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -75.84 -18.72 59.35 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.076 176.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -86.4 -9.39 56.42 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.426 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' HG ' ' HA ' ' A' ' 12' ' ' ASP . 85.0 mt -69.29 135.19 50.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.091 0.472 . . . . 0.0 111.509 -174.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 40' ' ' ARG . 51.2 mt-10 -85.85 94.61 9.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.906 -178.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.4 mm -87.36 123.48 40.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 176.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.56 149.57 24.27 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.851 0.358 . . . . 0.0 110.834 -173.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -102.55 108.84 20.27 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.969 -0.559 . . . . 0.0 109.683 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.501 HD11 ' HB2' ' A' ' 38' ' ' HIS . 36.9 mt -75.72 125.17 35.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.847 -175.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.429 ' HA ' ' HD2' ' A' ' 21' ' ' ARG . 22.1 tpt180 -108.3 -23.84 11.74 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 175.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.812 ' HB1' ' HB3' ' A' ' 32' ' ' LYS . . . 67.6 27.53 7.73 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.361 -0.836 . . . . 0.0 112.116 174.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -82.51 134.82 35.21 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.651 -0.25 . . . . 0.0 110.382 177.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.84 127.39 1.24 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.529 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.14 108.57 2.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.93 0.395 . . . . 0.0 111.227 -176.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -150.35 -140.94 3.3 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.176 -0.535 . . . . 0.0 111.82 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 179.55 -98.24 0.11 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.253 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -103.77 171.31 7.43 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.537 0.208 . . . . 0.0 110.729 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 69.29 -1.9 2.03 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.949 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.51 134.08 59.19 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 174.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.793 ' HB3' ' HA ' ' A' ' 111' ' ' THR . 29.2 p-10 -106.93 123.58 48.37 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.508 0.67 . . . . 0.0 110.715 -179.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.812 ' HB3' ' HB1' ' A' ' 22' ' ' ALA . 40.0 mtmt -123.1 124.31 42.8 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.31 177.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 t -149.86 132.6 15.93 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.824 0.345 . . . . 0.0 110.705 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.0 m -78.32 -26.4 46.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.161 178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.8 m -86.44 63.32 7.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.793 -0.64 . . . . 0.0 109.49 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -154.9 164.97 38.09 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.384 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 37.5 mm -111.34 133.2 57.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.803 -179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.501 ' HB2' HD11 ' A' ' 20' ' ' ILE . 60.4 t-80 -130.47 128.28 40.92 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.698 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.4 pt? -131.0 150.27 52.23 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.711 0.291 . . . . 0.0 110.254 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.432 ' CG ' HG21 ' A' ' 69' ' ' VAL . 71.0 ttt-85 -122.3 114.9 21.44 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.127 -178.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.462 ' HZ ' HD21 ' A' ' 48' ' ' LEU . 78.5 t80 -118.13 102.3 8.9 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -97.72 145.88 25.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.269 -174.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.685 ' HA ' HD12 ' A' ' 48' ' ' LEU . 51.4 mt -72.39 -47.72 51.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.033 -178.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 54.0 ttt180 -71.65 -35.41 70.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.036 -174.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.19 -29.4 66.25 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.193 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 t -98.19 176.76 5.62 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 121.226 0.536 . . . . 0.0 110.174 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -103.7 53.53 0.71 Allowed Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.505 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.685 HD12 ' HA ' ' A' ' 43' ' ' ILE . 88.1 mt -75.67 145.39 78.51 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-O 120.858 0.361 . . . . 0.0 111.2 -176.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 38.5 Cg_exo -61.53 147.85 94.43 Favored 'Trans proline' 0 C--O 1.236 0.397 0 C-N-CA 122.985 2.457 . . . . 0.0 112.198 177.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.414 ' HA ' ' HE3' ' A' ' 53' ' ' LYS . 36.7 mt-10 -59.25 -37.73 78.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.879 -177.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -61.45 -39.19 89.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.305 -178.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.443 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 54.3 m-85 -77.18 -36.7 54.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.807 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HE3' ' HA ' ' A' ' 50' ' ' GLU . 24.6 ttpp -51.54 -57.22 9.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.509 -178.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -58.81 -43.21 90.55 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 177.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.422 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 25.4 mmt180 -62.45 -39.33 93.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.487 0.551 . . . . 0.0 112.487 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.581 HD23 HD22 ' A' ' 98' ' ' LEU . 95.6 mt -63.22 -28.08 69.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.005 0.431 . . . . 0.0 111.123 179.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.1 mt -91.47 -19.75 22.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.848 -178.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.422 ' OG1' ' HA ' ' A' ' 55' ' ' ARG . 3.9 p -96.01 -43.43 7.79 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.896 0.332 . . . . 0.0 111.896 -176.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -78.45 111.95 15.0 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.046 0.45 . . . . 0.0 110.129 179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 17.3 m -80.52 78.36 7.25 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.498 0.665 . . . . 0.0 110.785 -174.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -91.47 131.24 37.06 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 177.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -73.62 59.19 0.62 Allowed 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 mp -143.59 -9.6 0.73 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.446 -1.252 . . . . 0.0 110.605 171.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.8 mm -73.16 130.25 35.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.758 ' HB2' ' HB ' ' A' ' 71' ' ' ILE . 34.7 t -82.98 -83.43 0.14 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.351 -175.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.4 ' C ' ' H ' ' A' ' 68' ' ' GLY . 15.2 t70 -164.16 -40.48 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 120.808 0.337 . . . . 0.0 111.413 -177.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.67 -1.27 1.77 Allowed 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.768 -178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.4 ' H ' ' C ' ' A' ' 66' ' ' ASP . . . 81.73 35.31 22.58 Favored Glycine 0 N--CA 1.447 -0.621 0 N-CA-C 108.947 -1.661 . . . . 0.0 108.947 -164.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.451 HG13 ' HB3' ' A' ' 65' ' ' SER . 8.2 p -124.96 145.79 31.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 114.124 -1.038 . . . . 0.0 110.614 -171.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 58.2 mt -85.04 122.87 38.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.758 ' HB ' ' HB2' ' A' ' 65' ' ' SER . 1.1 tp -121.01 135.18 62.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.131 0.491 . . . . 0.0 110.38 -176.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.698 ' HB ' HD21 ' A' ' 39' ' ' LEU . 5.0 mp -128.8 124.42 61.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.277 177.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 ttmt -103.81 97.03 7.09 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 170.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.96 135.96 35.85 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.765 -173.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.8 104.15 2.84 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.27 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.49 ' HB3' HD21 ' A' ' 83' ' ' ASN . 3.4 tm-20 -94.05 -86.28 0.27 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.231 178.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -146.85 -51.1 0.21 Allowed 'General case' 0 N--CA 1.446 -0.629 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.233 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -158.23 -36.46 0.07 Allowed 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -172.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 31.1 t -73.57 106.94 5.56 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 122.153 -0.342 . . . . 0.0 111.518 -173.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -35.76 81.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.308 0.575 . . . . 0.0 109.606 177.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -58.83 -49.67 76.86 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.162 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.0 tp -71.7 -32.44 67.82 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.316 -177.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.49 HD21 ' HB3' ' A' ' 76' ' ' GLU . 13.1 m-80 -63.28 -35.23 79.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.5 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -60.92 -53.75 53.4 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-O 121.153 0.501 . . . . 0.0 110.373 173.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -57.12 -43.94 82.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.239 -0.892 . . . . 0.0 111.482 -177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.583 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -67.39 -45.32 76.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.14 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.64 -47.17 86.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.76 0.314 . . . . 0.0 111.192 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.625 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.6 mt -64.13 -49.39 81.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.803 178.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.06 75.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.477 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.583 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 8.7 mpt_? -62.02 -45.82 91.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.605 178.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.3 pp -69.6 -36.28 76.06 Favored 'General case' 0 C--N 1.333 -0.128 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.068 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 88' ' ' ILE . 96.8 t -63.64 -33.06 59.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 CA-C-O 121.053 0.454 . . . . 0.0 110.366 176.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.444 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -71.02 -41.35 70.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.543 175.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 90' ' ' ARG . 75.2 t -57.32 -42.74 80.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-O 120.916 0.389 . . . . 0.0 110.399 177.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 91' ' ' LEU . 94.6 mt -55.7 -35.87 40.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.701 177.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -81.59 -34.42 31.0 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.685 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.496 ' HG2' ' HB3' ' A' ' 102' ' ' GLN . 50.9 mt-10 -66.32 -33.36 75.55 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 111.505 -179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.581 HD22 HD23 ' A' ' 56' ' ' LEU . 11.0 mp -81.41 -15.57 54.77 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -177.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 p -99.1 -52.55 3.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.957 0.408 . . . . 0.0 110.484 177.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -101.53 111.77 24.12 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 170.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -53.63 102.95 0.07 Allowed 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.586 0.707 . . . . 0.0 111.719 -169.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.496 ' HB3' ' HG2' ' A' ' 97' ' ' GLU . 8.4 tt0 -132.11 140.66 48.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.154 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -115.65 136.68 52.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.153 0.502 . . . . 0.0 111.257 -173.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 1.4 m -88.81 18.41 4.79 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.568 -179.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.464 ' HB3' ' H ' ' A' ' 106' ' ' ARG . 0.4 OUTLIER 65.53 -86.49 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.364 0.666 . . . . 0.0 109.694 -176.384 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.482 ' HA ' ' HD3' ' A' ' 106' ' ' ARG . 12.4 mmt180 -164.85 131.45 2.93 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 123.265 0.626 . . . . 0.0 109.398 174.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.71 117.14 27.47 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.873 0.368 . . . . 0.0 111.174 -176.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 89.4 m -107.44 123.64 48.69 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.231 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.496 ' HD3' ' H ' ' A' ' 109' ' ' ARG . 0.0 OUTLIER -124.79 142.04 39.79 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.32 179.715 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 109' ' ' ARG . 16.0 Cg_exo -68.54 153.06 74.43 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.824 2.35 . . . . 0.0 111.582 177.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.793 ' HA ' ' HB3' ' A' ' 31' ' ' ASN . 42.5 p -128.05 -171.11 2.37 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.967 -178.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 75.88 145.83 0.09 Allowed 'General case' 0 N--CA 1.47 0.573 0 O-C-N 124.005 0.815 . . . . 0.0 110.939 178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.688 ' HB2' ' H ' ' A' ' 32' ' ' LYS . . . -157.08 -85.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.271 178.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.6 t -177.35 167.69 2.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.547 -176.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -124.79 121.2 33.93 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.515 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.19 143.25 50.62 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.129 0.49 . . . . 0.0 110.432 175.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.93 150.99 39.59 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.417 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -152.84 147.45 26.03 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.784 -178.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 8.0 tt -141.69 125.25 16.76 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.0 m -136.04 112.7 10.11 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.262 177.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.0 m -134.24 113.77 12.34 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.4 178.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 2.7 pptp? -140.78 140.17 34.71 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -151.71 120.82 6.7 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.862 0.363 . . . . 0.0 111.053 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -117.98 136.88 53.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.215 179.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -159.11 113.07 2.37 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -177.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 4.9 p -155.36 133.05 11.25 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.85 0.357 . . . . 0.0 111.182 -177.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 28.8 p -139.89 175.46 9.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.841 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.0 p -147.42 129.73 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.247 0.546 . . . . 0.0 111.256 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -132.93 116.69 16.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.681 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -135.01 113.06 11.1 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.416 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 56.9 tp -122.88 135.4 54.5 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -115.02 147.55 39.97 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.049 174.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -150.83 152.26 24.13 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.437 ' O ' ' HD2' ' A' ' 134' ' ' LYS . 0.1 OUTLIER -142.3 146.78 35.43 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.165 0.507 . . . . 0.0 111.4 -179.043 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.14 133.78 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.325 -0.852 . . . . 0.0 109.295 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.44 121.81 4.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.04 0.448 . . . . 0.0 111.8 -177.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 138' ' ' PRO . 13.3 ttp180 -158.64 116.42 1.72 Allowed Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.678 172.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 137' ' ' ARG . 23.3 Cg_exo -64.58 150.92 87.41 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 123.035 2.49 . . . . 0.0 112.486 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 5.9 tt -109.93 105.39 14.55 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.218 -0.447 . . . . 0.0 109.839 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -105.25 131.95 52.07 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 173.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 49.8 tp -133.47 136.16 44.95 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.309 -176.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.16 170.05 9.38 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.277 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.5 t-80 -120.67 75.02 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.805 0.336 . . . . 0.0 110.178 -178.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -70.26 158.4 35.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.354 178.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -112.33 103.52 11.64 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.488 -178.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 51.9 p-80 -69.73 149.47 47.98 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 175.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 23.7 p-80 -123.55 157.07 34.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.119 0.485 . . . . 0.0 111.363 -175.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 38.7 m80 . . . . . 0 C--O 1.246 0.899 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 170.926 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.52 ' HA ' ' HB2' ' A' ' 12' ' ' ASP . 19.3 ptm . . . . . 0 N--CA 1.481 1.121 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 42.2 mm -97.75 95.81 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 174.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.45 114.69 26.89 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.065 -174.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.549 ' HB ' ' O ' ' A' ' 8' ' ' VAL . 20.0 mm -109.64 165.14 5.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.824 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.409 ' N ' HG22 ' A' ' 4' ' ' ILE . 50.2 m -71.34 174.62 6.26 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 175.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.77 ' HG3' ' H ' ' A' ' 7' ' ' THR . 8.7 tpt180 67.51 -165.18 0.21 Allowed 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 -175.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.77 ' H ' ' HG3' ' A' ' 6' ' ' ARG . 10.6 t -91.35 18.14 7.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.207 0.527 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.549 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 40.9 t -112.65 123.87 68.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.997 -177.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 67.0 m -147.92 161.29 41.61 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 175.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.56 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 4.3 mp -117.11 144.24 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -175.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.534 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -61.23 154.32 23.84 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-O 121.016 0.436 . . . . 0.0 110.798 178.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.52 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 13.4 t70 -65.45 -48.78 71.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -170.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -89.58 19.39 4.62 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.05 0.452 . . . . 0.0 111.243 -171.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.534 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 19.3 mm-40 -79.16 -37.56 38.1 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.871 0.367 . . . . 0.0 110.925 176.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.548 HD21 ' HD1' ' A' ' 41' ' ' PHE . 68.7 mt -85.49 138.43 32.23 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.586 -179.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -88.03 131.41 34.66 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-O 121.27 0.557 . . . . 0.0 110.816 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.499 HD13 ' HB3' ' A' ' 39' ' ' LEU . 41.5 mm -103.39 111.92 34.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.534 177.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.95 151.18 26.15 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 178.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.457 ' HA ' ' O ' ' A' ' 36' ' ' ALA . . . -82.72 130.92 35.2 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 176.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.609 HG12 ' HB2' ' A' ' 38' ' ' HIS . 56.2 mt -67.01 113.53 3.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.363 0.601 . . . . 0.0 110.551 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -98.57 49.43 0.98 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 122.081 0.943 . . . . 0.0 109.009 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -166.4 -179.05 4.77 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.097 -1.41 . . . . 0.0 108.52 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 24' ' ' GLY . 60.1 tp60 69.14 164.25 0.24 Allowed 'General case' 0 CA--C 1.536 0.427 0 O-C-N 123.716 0.635 . . . . 0.0 110.567 178.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' A' ' 23' ' ' GLN . . . -173.34 -157.9 16.24 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 121.039 -0.601 . . . . 0.0 111.667 178.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.18 127.97 21.86 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -76.54 99.4 1.34 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.877 -0.678 . . . . 0.0 111.837 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 155.83 -81.21 0.17 Allowed Glycine 0 N--CA 1.447 -0.607 0 N-CA-C 111.471 -0.651 . . . . 0.0 111.471 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -123.14 -177.58 3.73 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.591 ' HB3' ' HB3' ' A' ' 32' ' ' LYS . 37.1 m80 -108.2 94.52 5.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.7 0.762 . . . . 0.0 110.44 176.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.0 p -86.29 -37.77 11.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.083 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.457 -179.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.473 ' HB3' HE22 ' A' ' 75' ' ' GLN . 28.2 p-10 -109.59 38.11 2.44 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.143 -178.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.591 ' HB3' ' HB3' ' A' ' 29' ' ' HIS . 24.4 pttm -57.02 137.85 55.16 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.018 178.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 22.2 m 71.66 125.68 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.337 0 O-C-N 123.797 0.686 . . . . 0.0 109.982 -171.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.5 m -52.41 104.46 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.659 -176.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.6 t -133.49 0.96 3.37 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.536 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.585 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -78.14 159.11 28.81 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.564 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 46.6 mm -100.14 122.22 51.8 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.961 0 CA-C-O 121.648 0.737 . . . . 0.0 112.258 -170.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.609 ' HB2' HG12 ' A' ' 20' ' ' ILE . 13.3 t-80 -127.1 108.26 10.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.821 173.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.576 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.7 pt? -116.08 148.18 40.5 Favored 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 175.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 40' ' ' ARG . 10.4 ptm180 -115.0 120.49 40.07 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.171 -0.612 . . . . 0.0 111.368 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.548 ' HD1' HD21 ' A' ' 15' ' ' LEU . 90.3 t80 -120.35 105.98 11.42 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.676 177.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.47 ' HB3' HG23 ' A' ' 69' ' ' VAL . 5.5 p-10 -117.3 154.68 30.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.132 0.491 . . . . 0.0 111.031 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.495 HD11 ' HB3' ' A' ' 56' ' ' LEU . 2.1 mp -59.13 -42.09 85.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.88 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 48.6 mtt180 -63.98 -8.03 10.29 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 -175.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.17 -4.19 32.72 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 111.759 0.281 . . . . 0.0 111.759 -179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.3 t -137.55 138.79 39.97 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.111 0.481 . . . . 0.0 110.849 -176.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -79.09 64.07 3.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 121.048 -0.596 . . . . 0.0 112.195 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 61.9 mt -75.96 150.04 83.2 Favored Pre-proline 0 C--N 1.318 -0.765 0 C-N-CA 122.408 0.283 . . . . 0.0 111.407 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -59.55 145.04 99.18 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.795 2.33 . . . . 0.0 111.306 173.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.559 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 0.9 OUTLIER -60.32 -40.28 90.01 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.25 0.834 . . . . 0.0 113.25 -168.909 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -60.53 -51.28 70.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.887 0.375 . . . . 0.0 111.259 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.448 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 60.4 m-85 -65.77 -37.2 85.68 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.109 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.4 tmtt? -58.05 -41.03 82.42 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.255 177.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 13.1 mm-40 -63.44 -46.03 88.19 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.026 0.441 . . . . 0.0 110.636 178.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.8 mmt180 -63.44 -36.96 85.47 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.854 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.565 ' HA ' HD23 ' A' ' 98' ' ' LEU . 92.3 mt -74.62 -28.68 60.99 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.278 -178.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.0 mt -75.47 -41.91 54.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.716 0.293 . . . . 0.0 111.06 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.6 p -68.8 -47.8 65.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.903 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.963 ' HA ' ' HG ' ' A' ' 98' ' ' LEU . . . 60.1 -167.28 0.18 Allowed 'General case' 0 C--O 1.232 0.173 0 O-C-N 123.804 0.69 . . . . 0.0 112.142 175.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.7 t -169.46 27.59 0.02 OUTLIER 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.524 178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 69.9 m-70 -148.15 155.33 41.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.402 -179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -74.99 12.42 0.87 Allowed 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -174.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.491 HD22 HG21 ' A' ' 94' ' ' VAL . 6.9 mp -83.01 -7.37 59.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.874 0.369 . . . . 0.0 110.921 -179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.0 mm -80.79 131.64 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.285 -0.416 . . . . 0.0 109.892 174.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.543 ' HB2' HD13 ' A' ' 71' ' ' ILE . 34.8 t -92.96 -80.17 0.38 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.511 -177.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.4 -85.38 0.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.267 -172.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -87.24 -85.23 0.17 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.994 0.426 . . . . 0.0 110.735 -177.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -139.61 56.95 0.62 Allowed Glycine 0 N--CA 1.444 -0.793 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.537 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.47 HG23 ' HB3' ' A' ' 42' ' ' ASP . 7.3 p -120.37 141.73 39.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.874 0.369 . . . . 0.0 110.322 178.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.2 mp -107.4 119.84 57.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.483 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.543 HD13 ' HB2' ' A' ' 65' ' ' SER . 1.9 mp -102.0 118.13 48.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.191 0.519 . . . . 0.0 110.215 178.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.641 HG13 ' HB3' ' A' ' 91' ' ' LEU . 45.6 mm -99.68 115.84 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.725 177.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -96.96 119.64 35.81 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.199 176.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.564 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -120.32 124.19 44.97 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.254 -0.884 . . . . 0.0 111.038 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.473 HE22 ' HB3' ' A' ' 31' ' ' ASN . 41.7 tp60 -153.43 102.37 2.58 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 177.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -125.56 -58.86 1.4 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.058 -177.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -167.02 -164.47 0.62 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 -176.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 78' ' ' ARG . 13.6 ptt180 -70.69 -174.34 0.89 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 117.674 0.215 . . . . 0.0 110.765 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.6 m 68.31 85.16 0.14 Allowed 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.597 0.713 . . . . 0.0 111.095 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -57.49 -26.03 60.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 114.709 -1.132 . . . . 0.0 111.389 -178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -56.99 -53.6 56.23 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.753 0.311 . . . . 0.0 111.337 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.616 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 2.1 pp -72.94 -29.61 63.24 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.219 -177.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -65.31 -40.81 94.23 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.457 ' O ' HG13 ' A' ' 88' ' ' ILE . 31.3 ttt-85 -66.83 -51.64 53.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.779 179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.616 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -61.23 -35.83 78.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.993 -177.403 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -70.47 -37.4 74.28 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.361 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.27 -41.55 96.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.279 176.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.683 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 77.6 mt -61.4 -51.42 73.19 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.143 176.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.29 80.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.917 179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.425 ' O ' HG23 ' A' ' 94' ' ' VAL . 11.6 ttp180 -71.0 -35.0 71.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.406 -178.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.683 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.2 pp -70.91 -35.76 72.41 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.335 -0.546 . . . . 0.0 109.861 178.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.596 HG12 ' HE2' ' A' ' 96' ' ' LYS . 49.1 t -66.89 -36.62 77.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.539 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . . . -60.15 -41.72 93.34 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.373 174.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.491 HG21 HD22 ' A' ' 63' ' ' LEU . 75.8 t -63.28 -39.82 86.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.457 175.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 91' ' ' LEU . 80.3 mt -59.57 -41.04 83.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.664 176.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.596 ' HE2' HG12 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -59.75 -36.95 77.66 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 120.521 0.201 . . . . 0.0 110.814 175.33 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 -66.32 -48.16 71.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.357 0.599 . . . . 0.0 110.781 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.963 ' HG ' ' HA ' ' A' ' 59' ' ' ALA . 6.4 mp -70.31 -33.6 71.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.359 -174.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.4 p -93.76 -5.41 48.39 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.796 -0.361 . . . . 0.0 111.851 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 96' ' ' LYS . . . -66.08 159.92 25.01 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.843 0.354 . . . . 0.0 111.34 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -72.87 110.79 7.44 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.177 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 66.7 153.33 0.08 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.883 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.588 ' HE3' ' O ' ' A' ' 98' ' ' LEU . 0.1 OUTLIER -164.41 -61.37 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.335 -178.262 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 21.8 t -134.7 158.12 44.91 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 31.7 tpt180 -83.93 -27.32 28.63 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.421 -174.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.3 ttm-85 -134.1 109.12 8.72 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.666 -175.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -157.65 131.86 8.26 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.752 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 30.8 m -150.3 129.09 12.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.782 0.325 . . . . 0.0 111.228 -177.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -159.18 87.93 2.12 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.215 0.531 . . . . 0.0 110.788 177.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_endo -96.14 167.39 1.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.818 0 C-N-CA 123.326 2.684 . . . . 0.0 112.161 173.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 13.0 t 179.68 159.44 0.74 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.627 178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -170.43 148.22 3.12 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 177.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -177.59 167.78 2.2 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t 72.0 72.48 0.16 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 114.885 -1.052 . . . . 0.0 111.87 169.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 51.8 mtmt -136.01 112.33 9.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.039 171.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -169.93 117.3 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.353 0.408 . . . . 0.0 110.999 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.594 ' O ' ' HD2' ' A' ' 118' ' ' ARG . 13.0 ptm180 -179.58 86.39 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.99 0.424 . . . . 0.0 111.539 175.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.594 ' HD2' ' O ' ' A' ' 117' ' ' ARG . 0.3 OUTLIER -143.26 136.23 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 122.149 -0.344 . . . . 0.0 110.777 174.628 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 63.4 mt -157.19 94.6 1.42 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.053 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 49.4 m -139.5 116.71 11.16 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.841 0.353 . . . . 0.0 111.673 -177.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 44.0 m -150.33 145.8 26.36 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 175.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -179.15 -169.02 0.14 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.133 0.271 . . . . 0.0 111.234 -173.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . 75.41 119.73 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 170.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -145.75 124.39 12.53 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.12 174.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -100.17 160.63 14.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.928 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 8.2 p -175.3 111.74 0.12 Allowed 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.772 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 42.8 t -170.91 119.29 0.51 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.75 0.309 . . . . 0.0 111.07 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 16.2 m -143.91 142.24 24.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.021 174.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -179.08 99.99 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.759 0.314 . . . . 0.0 111.411 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -147.88 134.78 20.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.593 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' A' ' 132' ' ' ARG . 2.5 pt? -169.39 126.97 0.94 Allowed 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.617 0.246 . . . . 0.0 111.414 -179.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 131' ' ' LEU . 39.2 ttp180 174.71 105.7 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.526 171.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -115.92 99.7 0.9 Allowed Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.96 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 56.7 mmtt -110.91 140.93 44.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.18 0.514 . . . . 0.0 111.698 -177.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 10.4 p -142.71 140.1 28.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.328 177.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -120.87 144.78 48.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.191 0.519 . . . . 0.0 111.794 -178.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -125.55 100.03 32.3 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.106 176.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -86.21 38.13 0.58 Allowed 'Trans proline' 0 N--CA 1.462 -0.358 0 C-N-CA 123.007 2.472 . . . . 0.0 112.006 -178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 96.5 mt -86.42 120.17 27.47 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.443 -170.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -164.65 104.8 0.82 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.051 -0.977 . . . . 0.0 108.875 171.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -123.99 116.91 23.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.025 -170.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.17 150.86 19.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.103 0.478 . . . . 0.0 111.135 -179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -123.36 112.42 17.56 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.348 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -122.2 163.9 18.78 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.934 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 11.7 t60 61.29 70.4 0.61 Allowed 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.987 0.804 . . . . 0.0 111.433 174.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 13.4 p80 -63.97 129.47 40.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 172.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 31.8 p80 -141.92 -179.18 6.06 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.516 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 32.8 t60 . . . . . 0 C--O 1.244 0.784 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 174.04 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.451 ' SD ' ' HA ' ' A' ' 11' ' ' ALA . 14.0 tpt . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.551 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 3.6 mp -102.89 116.24 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.81 0.338 . . . . 0.0 110.182 -179.149 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.95 125.03 53.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.694 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.465 ' HB ' HG13 ' A' ' 8' ' ' VAL . 30.7 mm -109.9 165.69 5.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.563 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 29.5 t -56.64 154.16 9.28 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 174.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.563 ' HB2' ' O ' ' A' ' 5' ' ' SER . 13.5 mmt85 75.17 -164.01 0.07 Allowed 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.752 0.658 . . . . 0.0 109.559 -169.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 t -102.2 35.91 2.27 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.6 0.714 . . . . 0.0 110.447 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.514 HG11 ' HD3' ' A' ' 49' ' ' PRO . 7.7 p -109.09 123.12 64.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.258 0.552 . . . . 0.0 110.899 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -127.58 152.7 47.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.974 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.551 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 mp -117.57 133.15 65.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 177.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.543 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -63.76 150.67 44.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.915 0.388 . . . . 0.0 111.01 -178.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -63.59 -35.18 79.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.738 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -108.51 33.46 4.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.541 0.686 . . . . 0.0 109.881 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.543 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 2.3 mt-10 -92.56 -35.27 13.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.997 172.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.505 HD13 HD12 ' A' ' 39' ' ' LEU . 97.9 mt -73.15 136.47 44.8 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.919 -178.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -80.36 98.68 7.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.304 0.574 . . . . 0.0 110.111 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.38 137.22 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.849 -177.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -136.11 149.34 48.65 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.575 179.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.92 140.65 29.62 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.725 0.297 . . . . 0.0 110.258 178.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.571 ' CG1' ' HB2' ' A' ' 38' ' ' HIS . 64.1 mt -89.52 116.19 30.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 121.279 0.561 . . . . 0.0 110.48 178.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 51.9 ttp85 -129.27 92.23 3.33 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.949 179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.51 95.39 10.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.64 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -82.27 81.28 8.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.234 0.54 . . . . 0.0 110.486 -175.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -150.77 106.48 0.31 Allowed Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.631 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -96.33 -66.47 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -85.96 33.14 3.6 Favored Glycine 0 N--CA 1.454 -0.132 0 C-N-CA 120.967 -0.635 . . . . 0.0 113.496 -173.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.49 -25.68 11.85 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.13 178.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.475 ' NE2' ' HB ' ' A' ' 30' ' ' VAL . 53.4 tt0 -172.38 160.47 4.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.965 0.412 . . . . 0.0 110.063 -177.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -86.91 5.81 35.14 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.619 0.723 . . . . 0.0 110.63 -176.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.475 ' HB ' ' NE2' ' A' ' 28' ' ' GLN . 14.9 p -64.2 -31.46 53.48 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 114.948 -1.024 . . . . 0.0 111.928 -177.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.417 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 28.8 t30 68.58 96.95 0.06 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.317 -175.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -87.64 114.32 24.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.761 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.7 p -80.22 134.68 36.14 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.235 -0.893 . . . . 0.0 111.502 -177.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 58.7 m -107.96 31.43 5.52 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.376 0.608 . . . . 0.0 110.209 176.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.562 ' HB2' ' HA ' ' A' ' 78' ' ' ARG . 7.4 p -113.91 38.57 2.94 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.589 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.518 ' CB ' ' HB3' ' A' ' 75' ' ' GLN . . . -115.86 155.38 28.01 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.759 -175.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 45.9 mm -102.09 136.67 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.9 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.571 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 57.1 t-80 -127.2 134.26 50.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.138 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.524 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.7 pt? -136.44 149.61 48.33 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 177.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.5 mtp-105 -106.64 110.2 22.32 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.266 176.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -97.09 102.01 13.69 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 174.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 45' ' ' ALA . 13.4 t70 -102.08 135.31 43.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.689 -173.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.0 mp -77.19 -43.56 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.543 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 46.8 ttt180 -66.66 -39.06 88.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.83 -177.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.405 ' HB3' ' HB3' ' A' ' 42' ' ' ASP . . . -73.0 -8.75 57.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.354 -177.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.2 p -112.69 -172.24 2.01 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 120.803 0.335 . . . . 0.0 110.611 179.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.41 57.83 0.7 Allowed Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.083 -0.58 . . . . 0.0 111.718 179.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.9 mt -75.68 155.0 85.41 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 -178.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.514 ' HD3' HG11 ' A' ' 8' ' ' VAL . 31.8 Cg_exo -58.45 149.04 77.3 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.271 1.98 . . . . 0.0 111.63 175.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.64 ' HA ' ' HE2' ' A' ' 53' ' ' LYS . 45.1 mt-10 -50.25 -54.49 20.82 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.566 -173.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -67.62 -34.2 76.5 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 111.849 0.314 . . . . 0.0 111.849 -174.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.445 ' HD1' ' HB2' ' A' ' 49' ' ' PRO . 52.6 m-85 -67.82 -43.29 79.96 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.858 -0.156 . . . . 0.0 111.276 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.64 ' HE2' ' HA ' ' A' ' 50' ' ' GLU . 59.7 pttt -69.53 -33.88 73.44 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.685 -179.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 29.4 mm-40 -71.38 -34.93 70.86 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -59.97 -28.86 68.02 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.814 0.34 . . . . 0.0 111.207 178.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.7 mt -75.6 -35.03 60.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.367 -178.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.408 HD11 ' HA2' ' A' ' 68' ' ' GLY . 4.0 mm? -91.21 -15.06 29.88 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -176.593 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 12.4 p -88.51 -34.41 17.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.207 0.527 . . . . 0.0 110.829 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.16 123.87 26.53 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.151 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 40.0 m -79.07 69.68 5.29 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.391 0.615 . . . . 0.0 109.839 178.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.48 ' CD2' HD13 ' A' ' 63' ' ' LEU . 7.6 t60 -94.1 133.37 37.65 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.65 -0.871 . . . . 0.0 108.65 179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -75.72 -8.26 56.4 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.036 0.445 . . . . 0.0 111.336 -167.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.48 HD13 ' CD2' ' A' ' 61' ' ' HIS . 9.6 mp -75.21 -15.66 60.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.189 173.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.6 mm -77.06 137.41 22.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 174.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.421 ' OG ' HG13 ' A' ' 69' ' ' VAL . 13.8 p -97.16 -84.75 0.37 Allowed 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.711 -174.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -133.65 -76.92 0.48 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.823 0.344 . . . . 0.0 111.906 -176.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -104.77 64.65 0.74 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.125 0.488 . . . . 0.0 112.129 -170.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.408 ' HA2' HD11 ' A' ' 57' ' ' LEU . . . 71.69 38.11 61.3 Favored Glycine 0 C--N 1.32 -0.325 0 CA-C-N 115.374 -0.83 . . . . 0.0 114.253 169.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.421 HG13 ' OG ' ' A' ' 65' ' ' SER . 7.8 p -134.93 142.52 40.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.071 0.462 . . . . 0.0 109.862 174.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.0 mt -102.0 133.87 44.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.227 -176.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.2 mm -106.8 122.93 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 CA-C-O 121.155 0.502 . . . . 0.0 110.957 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.524 ' HB ' HD21 ' A' ' 39' ' ' LEU . 5.2 mp -120.98 132.68 69.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.886 178.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' HG2' ' CD1' ' A' ' 20' ' ' ILE . 83.3 mttt -119.1 108.83 15.19 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-O 121.801 0.81 . . . . 0.0 110.041 173.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.9 124.65 52.7 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 114.37 -1.286 . . . . 0.0 111.196 -175.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.518 ' HB3' ' CB ' ' A' ' 36' ' ' ALA . 13.1 pt20 -156.59 107.9 2.43 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.447 0.641 . . . . 0.0 111.439 178.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -74.34 -62.56 1.48 Allowed 'General case' 0 C--N 1.315 -0.903 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 167.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 58.7 t80 -147.72 -58.16 0.25 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.645 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.562 ' HA ' ' HB2' ' A' ' 35' ' ' SER . 66.0 ttt180 -157.42 -42.87 0.07 Allowed 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -177.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.9 m -51.09 113.58 0.96 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.314 0.578 . . . . 0.0 112.066 -174.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.422 ' H ' ' CD ' ' A' ' 80' ' ' GLN . 19.8 mp0 -67.8 -42.52 81.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.091 -0.959 . . . . 0.0 111.252 -171.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -59.34 -53.48 57.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.277 -174.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.3 pp -68.73 -35.02 76.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.839 0.352 . . . . 0.0 110.36 -175.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -65.66 -39.03 90.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.549 177.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -65.7 -47.46 75.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.09 178.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -61.98 -38.16 87.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.444 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.46 -32.14 73.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.467 177.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.444 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -68.98 -38.5 79.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.484 176.34 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.585 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 76.2 mt -60.72 -50.47 80.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-N 116.157 -0.474 . . . . 0.0 109.877 175.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.11 -34.61 76.66 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.571 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.509 ' O ' HG23 ' A' ' 94' ' ' VAL . 22.8 tpt180 -60.85 -49.18 78.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.974 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.2 pp -64.8 -38.82 92.26 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.564 -177.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.518 HG12 ' HE3' ' A' ' 96' ' ' LYS . 69.0 t -63.0 -41.06 91.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.068 0.461 . . . . 0.0 110.143 177.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.526 ' HA ' ' HG2' ' A' ' 96' ' ' LYS . . . -65.89 -44.96 83.75 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.61 177.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 90' ' ' ARG . 78.3 t -55.34 -43.45 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.933 0.397 . . . . 0.0 110.345 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 91' ' ' LEU . 94.8 mt -59.24 -46.3 92.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 178.138 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.526 ' HG2' ' HA ' ' A' ' 93' ' ' ALA . 15.3 ptpt -75.39 -30.18 60.06 Favored 'General case' 0 CA--C 1.532 0.26 0 O-C-N 122.293 -0.254 . . . . 0.0 111.681 -177.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.48 -31.74 73.08 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.097 0.475 . . . . 0.0 110.98 176.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 94' ' ' VAL . 11.0 mp -91.47 -38.01 12.81 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.115 -0.493 . . . . 0.0 112.229 -178.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.4 p -74.52 -37.44 63.08 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.998 0.427 . . . . 0.0 111.195 -179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -101.42 164.14 11.92 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 174.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -89.4 75.18 7.69 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 121.088 0.471 . . . . 0.0 110.36 178.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -129.73 172.83 11.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.241 -176.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -160.64 106.35 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.322 174.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.2 p -126.46 136.47 52.68 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.872 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 5.7 ptp180 -175.08 139.36 0.47 Allowed 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 177.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -152.22 122.59 7.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.827 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -132.51 105.73 7.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.067 0.46 . . . . 0.0 111.067 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 38.7 m -151.82 110.14 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.089 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 22.9 ptt180 -134.51 104.83 11.0 Favored Pre-proline 0 C--N 1.321 -0.642 0 CA-C-O 121.033 0.444 . . . . 0.0 111.158 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -88.32 130.02 2.37 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 122.964 2.443 . . . . 0.0 112.265 177.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 32.1 m -150.66 118.06 6.05 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 20.6 tpt180 -155.94 137.86 14.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.718 -0.219 . . . . 0.0 110.754 -174.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -153.63 160.2 42.33 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.734 0.302 . . . . 0.0 111.255 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 40.1 m -145.8 -79.41 0.17 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.923 175.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.3 mptt 50.56 91.88 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.824 0.85 . . . . 0.0 113.103 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -149.22 162.7 39.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.52 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -169.04 137.44 2.0 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.27 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 118' ' ' ARG . 0.0 OUTLIER -156.93 117.42 3.59 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.184 0.516 . . . . 0.0 110.452 169.428 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 48.7 tp -166.8 136.93 3.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.845 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 54.4 p -164.25 112.75 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.966 177.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.4 p -146.57 138.25 24.6 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.575 -0.284 . . . . 0.0 111.303 -177.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -162.89 122.8 2.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.125 178.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -171.45 109.47 0.29 Allowed 'General case' 0 C--O 1.233 0.187 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 -177.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.459 ' O ' ' HD2' ' A' ' 125' ' ' LYS . 45.4 mt-30 -141.51 88.07 2.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.913 172.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.459 ' HD2' ' O ' ' A' ' 124' ' ' GLN . 4.6 tptp -138.65 115.61 10.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.673 0.273 . . . . 0.0 110.739 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 75.4 m -156.67 125.25 5.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.851 178.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.6 t -161.94 97.34 1.04 Allowed 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.233 0.539 . . . . 0.0 110.759 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 14.6 p -152.23 143.92 15.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.939 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -163.94 103.38 0.89 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.87 0.367 . . . . 0.0 111.115 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -155.61 121.79 5.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.198 176.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.459 HD22 ' O ' ' A' ' 131' ' ' LEU . 0.0 OUTLIER -159.2 133.15 7.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.021 0.438 . . . . 0.0 110.635 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 -173.43 158.36 3.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.48 178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 152.32 146.67 4.4 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.587 -0.816 . . . . 0.0 111.664 179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -135.63 102.82 5.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 14.9 m -125.96 122.93 63.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 120.852 0.358 . . . . 0.0 111.406 -176.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.438 ' HA ' ' HE ' ' A' ' 136' ' ' ARG . 3.2 tpm_? -177.6 118.71 0.1 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.162 177.119 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -147.32 83.67 7.64 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -96.39 148.41 1.15 Allowed 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.286 2.658 . . . . 0.0 113.757 -177.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 61.9 mt -148.08 135.21 20.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.153 -0.931 . . . . 0.0 108.69 172.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -158.96 100.09 1.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.143 0.496 . . . . 0.0 111.119 -178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 56.4 tp -139.35 108.24 5.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.639 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -141.19 124.95 16.93 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.054 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -147.45 108.3 4.19 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -121.72 154.61 36.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.897 0.379 . . . . 0.0 110.799 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.25 154.58 33.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.767 -174.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 60.8 t60 -132.32 96.48 3.88 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.846 -178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -130.21 140.85 50.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.988 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 24.6 t60 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.441 -0.79 . . . . 0.0 109.592 173.033 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ttt . . . . . 0 N--CA 1.483 1.221 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp -106.55 134.1 49.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.826 0.346 . . . . 0.0 110.835 -177.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.97 116.78 30.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.11 0.481 . . . . 0.0 110.64 178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 5' ' ' SER . 30.8 mm -100.13 163.48 2.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.738 -179.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.481 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 7.1 t -62.63 162.47 10.53 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.511 ' HA ' ' NE ' ' A' ' 6' ' ' ARG . 1.6 mmp_? 69.86 28.17 4.35 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 122.472 0.309 . . . . 0.0 110.787 -175.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 t 48.96 31.46 3.28 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.356 1.063 . . . . 0.0 112.444 178.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.2 t -96.22 114.37 32.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.003 176.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -94.13 144.06 25.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.855 0.359 . . . . 0.0 110.332 178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.412 HG22 ' HG3' ' A' ' 14' ' ' GLU . 52.0 mt -123.11 152.51 27.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 178.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.415 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -62.0 175.23 0.72 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 121.161 0.505 . . . . 0.0 111.835 -176.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -82.18 -55.35 4.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.534 -168.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -85.2 29.48 0.65 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.391 0.615 . . . . 0.0 110.436 -175.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 6.6 mm-40 -84.08 -24.5 30.33 Favored 'General case' 0 N--CA 1.442 -0.864 0 CA-C-O 121.11 0.481 . . . . 0.0 110.029 175.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.7 mt -73.9 122.9 23.27 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.051 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -87.04 101.68 13.69 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.533 -176.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 40.9 mm -87.8 125.07 41.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.976 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 p -121.89 138.56 54.35 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.532 177.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -95.56 132.31 40.83 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.081 -0.341 . . . . 0.0 110.081 176.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.528 HD11 ' HB2' ' A' ' 38' ' ' HIS . 26.6 mt -89.43 139.67 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.475 ' HA ' ' HA ' ' A' ' 34' ' ' SER . 36.6 ttm180 -157.29 12.01 0.22 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.964 0.411 . . . . 0.0 110.499 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -148.11 162.74 38.8 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.763 -174.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 71.93 103.8 0.07 Allowed 'General case' 0 N--CA 1.467 0.408 0 O-C-N 124.202 0.939 . . . . 0.0 111.32 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -127.15 50.65 0.88 Allowed Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.99 179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.51 168.64 19.26 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.184 -0.302 . . . . 0.0 110.184 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 115.43 72.07 0.51 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.389 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.53 1.25 40.41 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.376 178.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 66.72 171.47 0.25 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 122.913 0.485 . . . . 0.0 111.727 178.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.5 t60 64.29 16.01 9.82 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.434 172.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.1 p -115.73 154.13 17.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.133 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -105.15 -177.48 3.38 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -76.55 2.98 12.37 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -176.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.458 HG23 ' OE1' ' A' ' 75' ' ' GLN . 8.1 m 56.64 41.57 28.23 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.63 0.729 . . . . 0.0 110.789 177.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.475 ' HA ' ' HA ' ' A' ' 21' ' ' ARG . 4.5 p -67.14 120.53 13.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.293 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.8 m 69.66 78.42 0.2 Allowed 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.432 -0.803 . . . . 0.0 111.302 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 75' ' ' GLN . . . -145.96 165.12 29.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.534 178.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.506 HG21 ' HA ' ' A' ' 84' ' ' ARG . 29.5 mm -100.04 127.46 52.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.222 0.534 . . . . 0.0 110.923 -176.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.528 ' HB2' HD11 ' A' ' 20' ' ' ILE . 57.5 t-80 -136.76 131.55 33.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.212 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.467 HD11 ' CD2' ' A' ' 91' ' ' LEU . 2.3 pt? -145.45 150.83 37.22 Favored 'General case' 0 C--N 1.317 -0.837 0 O-C-N 121.972 -0.455 . . . . 0.0 110.541 176.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -127.65 149.14 50.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.539 -179.687 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -125.48 113.84 18.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.858 177.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -101.18 151.66 21.58 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.797 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.429 ' N ' HD12 ' A' ' 43' ' ' ILE . 3.1 mp -70.95 -44.53 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.443 -176.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -76.53 0.74 18.84 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.094 0.474 . . . . 0.0 110.735 -176.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -81.72 -4.61 56.74 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.904 0.383 . . . . 0.0 110.268 174.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 t -155.74 -165.16 1.89 Allowed 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.79 179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -126.15 83.57 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.031 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.9 mt -76.16 154.26 84.45 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-O 120.541 0.21 . . . . 0.0 111.102 -178.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.68 148.75 87.28 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 122.853 2.369 . . . . 0.0 111.807 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -56.8 -45.54 82.15 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -174.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -59.25 -43.5 92.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.978 0.418 . . . . 0.0 111.115 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.414 ' HE1' ' HB2' ' A' ' 98' ' ' LEU . 63.1 t80 -74.97 -46.61 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.718 -177.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HE2' ' HB3' ' A' ' 53' ' ' LYS . 36.2 ttpt -51.96 -50.46 61.19 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.059 -0.973 . . . . 0.0 112.128 -177.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -65.68 -41.53 92.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.575 -175.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -66.94 -23.59 65.98 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.902 -176.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.468 HD23 ' HG ' ' A' ' 98' ' ' LEU . 91.0 mt -63.65 -32.14 73.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.324 . . . . 0.0 110.976 176.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -86.4 -31.65 21.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.045 0.45 . . . . 0.0 110.365 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.8 m -71.63 -43.07 66.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.301 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.73 105.78 17.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.863 0.363 . . . . 0.0 110.412 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.1 t -78.99 67.54 4.72 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.548 0.69 . . . . 0.0 109.205 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -60.78 137.77 58.17 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -57.67 -31.65 66.55 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -167.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.579 HD12 HG21 ' A' ' 94' ' ' VAL . 49.8 mt -76.99 -6.97 54.72 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.894 0.331 . . . . 0.0 111.894 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.476 ' CD1' HG12 ' A' ' 70' ' ' ILE . 36.7 mm -81.48 131.41 33.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 168.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.542 ' HB2' HD13 ' A' ' 71' ' ' ILE . 13.6 t -75.43 -71.62 0.35 Allowed 'General case' 0 C--N 1.318 -0.772 0 C-N-CA 119.671 -0.812 . . . . 0.0 109.995 -174.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -165.26 -42.38 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.993 0.425 . . . . 0.0 110.692 174.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -70.64 -3.19 17.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.072 -176.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 103.83 3.5 45.93 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 121.077 -0.582 . . . . 0.0 112.365 178.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 p -102.15 143.99 14.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -175.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.476 HG12 ' CD1' ' A' ' 64' ' ' ILE . 4.3 mt -88.92 126.28 41.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.242 -177.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.542 HD13 ' HB2' ' A' ' 65' ' ' SER . 1.8 mp -114.42 119.5 61.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.769 0.319 . . . . 0.0 110.706 179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 72' ' ' ILE . 4.5 mp -123.68 126.1 72.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.965 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.61 143.81 49.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 175.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -140.45 135.43 31.99 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.526 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.491 ' O ' ' HD2' ' A' ' 110' ' ' PRO . 19.4 pt20 -157.71 104.08 1.94 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.131 0.491 . . . . 0.0 110.825 -176.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -111.26 -53.55 2.69 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.157 0.503 . . . . 0.0 110.356 171.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 23.2 t80 -142.38 -171.84 3.48 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.79 11.88 5.45 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 120.852 0.358 . . . . 0.0 111.056 177.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 49.2 m -88.68 97.39 11.1 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 173.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.416 ' HA ' ' HB2' ' A' ' 83' ' ' ASN . 2.5 mp0 -70.48 -20.19 62.88 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.136 -174.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -57.73 -53.23 60.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.865 0.364 . . . . 0.0 110.512 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.865 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 4.1 pp -76.74 -32.34 57.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.172 0.51 . . . . 0.0 110.965 -178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.416 ' HB2' ' HA ' ' A' ' 80' ' ' GLN . 91.9 m-20 -61.33 -45.16 95.57 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.05 175.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.506 ' HA ' HG21 ' A' ' 37' ' ' ILE . 36.8 ttm180 -68.17 -48.4 65.39 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.693 -178.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.865 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 1.9 pt-20 -57.85 -38.91 76.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.144 -177.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.575 ' N ' ' HG3' ' A' ' 85' ' ' GLU . . . -67.47 -45.26 76.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.543 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.69 -45.66 91.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.633 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 79.0 mt -63.95 -51.84 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.934 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.87 -39.69 78.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.802 0.334 . . . . 0.0 111.254 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.541 ' O ' HG23 ' A' ' 94' ' ' VAL . 7.6 mpt_? -63.37 -47.5 81.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.374 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.5 pp -66.38 -38.96 88.73 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.777 -176.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.534 HG12 ' HE2' ' A' ' 96' ' ' LYS . 88.7 t -61.86 -40.2 86.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.27 178.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.84 -46.71 88.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.569 175.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.579 HG21 HD12 ' A' ' 63' ' ' LEU . 71.8 t -60.79 -43.03 94.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.055 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 91' ' ' LEU . 65.6 mt -55.66 -34.3 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.547 176.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.534 ' HE2' HG12 ' A' ' 92' ' ' VAL . 52.6 mtmt -81.31 -28.29 34.66 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.73 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -60.2 -26.36 66.31 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.468 ' HG ' HD23 ' A' ' 56' ' ' LEU . 4.5 mm? -73.33 -17.07 61.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.808 0.337 . . . . 0.0 111.449 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.5 p -115.0 -52.6 2.69 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.042 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -89.08 124.4 34.26 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 171.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -53.25 141.36 23.98 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -170.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -45.61 121.51 3.11 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 114.184 -1.371 . . . . 0.0 112.643 -173.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 57.5 mttm -105.17 -76.84 0.59 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.768 177.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 34.2 t -160.5 120.33 2.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.135 0.493 . . . . 0.0 111.158 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.543 ' HD3' HD11 ' A' ' 63' ' ' LEU . 8.0 tmm_? -117.45 108.85 16.03 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 175.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -114.92 136.93 52.57 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.113 -170.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -155.02 153.15 30.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.84 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 18.1 p -126.93 -176.58 3.75 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.956 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 51.6 ttt180 -171.03 83.23 0.51 Allowed Pre-proline 0 CA--C 1.533 0.307 0 CA-C-O 120.623 0.249 . . . . 0.0 111.243 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.491 ' HD2' ' O ' ' A' ' 75' ' ' GLN . 30.7 Cg_endo -66.17 131.93 28.29 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.326 2.017 . . . . 0.0 111.762 174.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.4 m -105.17 95.53 5.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.029 -176.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 32.4 mmt180 -145.91 160.39 41.89 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.321 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 74.73 143.07 0.07 Allowed 'General case' 0 N--CA 1.471 0.588 0 O-C-N 124.121 0.888 . . . . 0.0 112.662 176.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.5 t -162.22 160.72 27.32 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.23 -0.895 . . . . 0.0 108.672 177.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -165.56 124.58 1.68 Allowed 'General case' 0 C--O 1.234 0.259 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -174.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -149.93 140.64 22.64 Favored 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.696 0.623 . . . . 0.0 110.498 173.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -150.21 144.61 25.74 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 49.9 ttm-85 -141.25 146.33 36.69 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 55.7 tp -161.99 130.32 4.18 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.452 0.167 . . . . 0.0 110.826 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.6 t -167.33 124.1 1.17 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.471 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 43.6 p -176.74 107.84 0.07 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.271 177.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.415 ' HD3' ' C ' ' A' ' 122' ' ' LYS . 1.8 tmtp? -170.6 122.91 0.63 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 174.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -154.54 131.33 10.77 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.441 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -154.71 144.39 21.52 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -178.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -151.24 133.69 15.47 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.618 0.247 . . . . 0.0 110.893 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.3 m -153.96 131.23 11.18 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 122.377 0.271 . . . . 0.0 110.605 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 34.3 p -162.01 135.63 6.39 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.099 -178.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 8.0 m -137.59 114.62 12.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.049 0.452 . . . . 0.0 111.114 176.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.868 ' HA ' ' HE3' ' A' ' 129' ' ' LYS . 0.0 OUTLIER -122.24 132.94 54.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.319 178.387 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -150.03 148.38 28.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.059 175.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.9 tp -154.77 162.59 41.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.54 0.209 . . . . 0.0 110.555 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 15.8 ptt180 -155.78 -179.95 8.62 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -155.17 174.35 33.35 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.129 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -165.21 139.03 4.75 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 13.1 p -172.9 153.66 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 23.3 ptt180 -154.48 156.81 37.39 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 176.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -167.38 87.71 0.76 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.938 0.399 . . . . 0.0 110.571 -179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -96.18 128.07 0.35 Allowed 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.515 2.81 . . . . 0.0 112.675 178.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 51.4 tp -146.93 131.74 18.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.032 0.444 . . . . 0.0 111.072 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -126.25 159.73 32.24 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 173.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.36 133.94 41.18 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -79.87 177.81 8.65 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.123 0.487 . . . . 0.0 111.563 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -148.08 139.83 23.85 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.085 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 10.4 t-80 -135.11 87.24 2.32 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 174.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -99.11 97.92 8.98 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.948 -176.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -85.69 128.42 34.78 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.096 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -59.99 120.11 9.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.845 172.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 . . . . . 0 C--O 1.248 0.986 0 CA-C-O 118.557 -0.735 . . . . 0.0 110.255 -177.867 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.7 ttt . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.573 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 3.5 mp -82.49 125.07 39.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.113 -177.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.56 115.68 29.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.721 -177.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.689 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 26.7 mm -99.58 164.79 2.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.436 ' N ' HG22 ' A' ' 4' ' ' ILE . 7.5 t -74.32 -177.24 2.95 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.538 ' HG2' HG22 ' A' ' 7' ' ' THR . 22.8 ttt180 67.65 -77.27 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 123.19 0.596 . . . . 0.0 110.92 -178.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.538 HG22 ' HG2' ' A' ' 6' ' ' ARG . 15.0 t -174.19 19.68 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.034 0.445 . . . . 0.0 111.057 -179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.689 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 18.4 t -99.57 144.99 11.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 122.198 -0.314 . . . . 0.0 110.828 -173.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.409 ' C ' HD12 ' A' ' 10' ' ' ILE . 17.7 m -148.25 149.65 32.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.043 0.449 . . . . 0.0 110.349 176.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.573 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.1 mp -124.48 127.92 73.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.743 -178.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.554 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -68.87 155.56 40.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.993 0.425 . . . . 0.0 110.947 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -63.46 -29.86 71.07 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.193 -174.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -86.78 -6.8 58.71 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 121.029 -0.268 . . . . 0.0 111.72 -174.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.554 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 12.7 mm-40 -75.14 -41.75 57.68 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 120.975 0.417 . . . . 0.0 110.727 -177.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.8 mt -85.33 143.67 28.53 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.757 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.534 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 45.7 mt-10 -83.0 112.18 19.53 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.241 178.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.7 mm -96.95 112.31 28.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 172.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.09 144.67 48.43 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.296 0.57 . . . . 0.0 112.1 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.5 127.69 33.56 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 173.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.604 ' H ' HD12 ' A' ' 20' ' ' ILE . 3.9 mp -67.44 113.17 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.825 0.345 . . . . 0.0 110.157 -176.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 21' ' ' ARG . 4.2 tpt180 -82.57 91.15 6.88 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 176.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.9 44.43 1.78 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.377 -174.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.414 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 6.6 tp60 -61.47 104.84 0.45 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.414 179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -168.9 51.84 0.22 Allowed Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.816 ' HB1' ' HA ' ' A' ' 31' ' ' ASN . . . -94.86 -40.25 9.82 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.968 0.413 . . . . 0.0 110.054 -179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 96.8 -64.58 1.02 Allowed Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.41 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 163.49 -162.81 35.23 Favored Glycine 0 N--CA 1.444 -0.788 0 C-N-CA 120.865 -0.684 . . . . 0.0 112.033 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 61.98 -163.22 0.27 Allowed 'General case' 0 CA--C 1.528 0.124 0 CA-C-O 120.951 0.405 . . . . 0.0 110.826 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -84.15 5.0 27.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.56 0.695 . . . . 0.0 110.219 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.1 t -89.11 5.69 4.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.111 -0.95 . . . . 0.0 110.775 -177.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.816 ' HA ' ' HB1' ' A' ' 25' ' ' ALA . 81.6 m-20 -61.14 133.43 55.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.373 0.606 . . . . 0.0 111.469 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.72 163.73 34.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.328 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.1 t -144.17 -169.92 3.23 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.719 0.295 . . . . 0.0 110.287 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.2 m -90.66 150.22 21.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.522 0.677 . . . . 0.0 112.357 -173.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.8 m -146.54 76.62 1.44 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 169.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.67 ' HB2' ' HB3' ' A' ' 75' ' ' GLN . . . -156.23 164.43 38.36 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.41 -169.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.5 mm -113.0 121.81 65.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.522 177.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -112.74 127.13 56.06 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.603 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.5 pt? -136.78 149.2 47.66 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.877 0.37 . . . . 0.0 111.136 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -102.71 114.45 28.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.088 174.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.551 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 49.3 t80 -96.94 100.84 12.35 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 170.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -106.47 118.64 37.17 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.076 -170.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.4 mt -70.2 -44.17 78.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.951 -179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -59.39 -38.7 81.21 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.172 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.24 -15.89 58.35 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -177.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 p -107.93 176.35 5.17 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.286 0.565 . . . . 0.0 110.934 -177.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -115.52 56.83 0.5 Allowed Glycine 0 N--CA 1.447 -0.572 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.654 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.1 mt -72.23 148.54 91.28 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.929 -0.136 . . . . 0.0 110.859 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.61 145.39 97.7 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.674 2.25 . . . . 0.0 111.376 176.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.86 -33.16 73.69 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -174.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -62.35 -33.67 75.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.878 0.371 . . . . 0.0 111.205 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -79.0 -42.76 25.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.151 0.5 . . . . 0.0 109.927 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.95 -46.37 89.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.446 -178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 54' ' ' GLN . 18.0 mm-40 -61.6 -43.16 99.38 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.673 -177.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -60.22 -39.19 85.78 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.613 0.244 . . . . 0.0 111.424 178.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.519 HD23 ' HG ' ' A' ' 98' ' ' LEU . 95.3 mt -71.63 -28.63 63.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.482 -177.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.4 mt -90.06 -26.64 20.17 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.744 -177.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.0 p -80.19 -48.53 12.99 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.947 -0.301 . . . . 0.0 111.231 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -79.16 111.6 15.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.627 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 m -77.22 76.76 3.77 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.27 0.557 . . . . 0.0 110.828 -178.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -87.6 134.99 33.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.197 178.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -61.42 -12.46 14.59 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -175.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.6 mt -70.38 -21.88 62.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.818 0.342 . . . . 0.0 110.451 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.607 HD13 HG12 ' A' ' 70' ' ' ILE . 36.1 mm -79.64 134.39 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 N-CA-C 108.761 -0.829 . . . . 0.0 108.761 174.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.448 ' OG ' HD13 ' A' ' 71' ' ' ILE . 22.5 m -78.24 -79.26 0.13 Allowed 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.21 -178.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -153.43 -54.28 0.11 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.671 0.272 . . . . 0.0 111.508 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -79.6 -15.76 57.07 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.185 0.516 . . . . 0.0 111.32 -176.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 120.42 16.92 4.53 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.495 -0.859 . . . . 0.0 112.124 -178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 7.3 p -101.96 144.22 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.607 HG12 HD13 ' A' ' 64' ' ' ILE . 42.0 mt -103.7 122.41 56.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.448 HD13 ' OG ' ' A' ' 65' ' ' SER . 1.7 mp -108.34 120.82 60.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.29 0.567 . . . . 0.0 110.46 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.603 ' HB ' HD21 ' A' ' 39' ' ' LEU . 4.9 mp -113.55 131.48 65.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.806 178.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -119.33 99.87 6.96 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 175.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.9 125.92 50.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.791 -175.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.67 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 10.2 pt20 -154.76 104.44 2.52 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.811 -178.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -117.62 -38.66 3.25 Favored 'General case' 0 N--CA 1.442 -0.842 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.206 175.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.455 ' HB3' HD21 ' A' ' 82' ' ' LEU . 13.0 t80 -147.24 176.21 10.16 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -176.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 75.4 mtt180 -66.93 -21.46 65.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.814 0.34 . . . . 0.0 111.039 176.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.427 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 14.1 m -73.02 104.94 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -65.47 -20.17 66.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.191 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -59.91 -53.5 57.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.087 0.47 . . . . 0.0 110.903 177.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.455 HD21 ' HB3' ' A' ' 77' ' ' PHE . 4.2 pp -72.33 -34.63 68.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.432 -178.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -61.92 -39.52 92.34 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.293 175.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.2 tpp180 -61.37 -51.55 68.34 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.752 177.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -57.14 -46.09 83.0 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.42 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.505 ' O ' ' HB2' ' A' ' 90' ' ' ARG . . . -60.85 -42.0 96.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.482 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.97 -47.4 83.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.842 178.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.65 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 74.9 mt -66.86 -49.12 77.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.727 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.97 -33.79 73.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.863 0.363 . . . . 0.0 110.83 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -65.04 -44.16 89.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.854 -179.16 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.3 pp -69.51 -34.85 74.88 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -178.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.524 ' HA ' HD12 ' A' ' 95' ' ' ILE . 66.6 t -65.6 -39.06 83.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.084 176.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -63.22 -38.37 90.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.461 175.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 90' ' ' ARG . 89.4 t -60.65 -41.74 89.25 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.18 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.079 175.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.524 HD12 ' HA ' ' A' ' 92' ' ' VAL . 84.5 mt -55.15 -46.74 77.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.026 176.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -64.32 -43.81 93.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.941 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.578 ' HG2' ' HA ' ' A' ' 94' ' ' VAL . 9.0 pt-20 -74.46 -27.64 60.68 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.822 -0.351 . . . . 0.0 111.876 -176.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.519 ' HG ' HD23 ' A' ' 56' ' ' LEU . 4.0 mm? -82.81 -30.42 28.8 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.5 p -92.69 4.98 52.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.101 0.477 . . . . 0.0 110.817 178.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -77.11 119.36 20.71 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.409 178.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -77.71 84.27 4.05 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 177.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.422 ' HA ' ' O ' ' A' ' 115' ' ' LYS . 28.5 mt-30 -137.62 171.16 14.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.697 -175.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 1.001 ' HA ' ' HB1' ' A' ' 113' ' ' ALA . 91.8 mttt -76.99 22.34 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.349 0.499 . . . . 0.0 112.349 -178.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 6.8 m -85.76 98.4 10.7 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.418 ' HG2' HG23 ' A' ' 111' ' ' THR . 26.9 mtp-105 -120.12 -87.11 0.64 Allowed 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.781 -0.368 . . . . 0.0 111.327 -176.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.411 ' H ' ' HB2' ' A' ' 105' ' ' ARG . 34.7 ttm180 63.64 179.5 0.16 Allowed 'General case' 0 CA--C 1.541 0.618 0 O-C-N 123.701 0.625 . . . . 0.0 109.64 -174.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 69.48 -160.5 0.17 Allowed 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 122.442 0.297 . . . . 0.0 110.798 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 2.3 m -116.21 5.59 13.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.281 0.563 . . . . 0.0 111.357 -177.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.503 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 98.6 mtt180 -109.47 126.28 29.52 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.186 -174.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' A' ' 109' ' ' ARG . 3.3 Cg_exo -74.56 98.44 1.13 Allowed 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.436 2.757 . . . . 0.0 113.392 -174.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.418 HG23 ' HG2' ' A' ' 105' ' ' ARG . 3.8 t -94.19 154.64 17.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.515 -0.766 . . . . 0.0 108.995 170.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 49.8 mtt180 -69.18 132.29 46.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.686 0.279 . . . . 0.0 110.668 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 1.001 ' HB1' ' HA ' ' A' ' 103' ' ' LYS . . . -146.16 89.6 1.89 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.987 -174.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.01 -47.78 2.86 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.376 -178.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.422 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 37.8 mtmm -90.99 155.34 18.78 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.037 0.446 . . . . 0.0 111.792 -175.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -164.68 104.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.382 175.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -86.64 91.62 8.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 173.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 118' ' ' ARG . 20.8 ttm-85 -107.8 121.38 44.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.237 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -163.52 156.51 18.58 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.805 -177.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 56.3 m -151.0 117.59 5.75 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 173.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.474 ' O ' ' HB2' ' A' ' 122' ' ' LYS . 41.8 t -127.63 80.05 1.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.711 -173.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 121' ' ' SER . 17.3 tptp 176.41 89.05 0.01 OUTLIER 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.898 170.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -129.4 130.58 46.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.13 -0.487 . . . . 0.0 109.936 177.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -145.47 88.09 1.83 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.438 0.637 . . . . 0.0 110.443 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 9.9 mmtt -95.71 132.15 41.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.463 -177.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.4 m -150.53 100.06 2.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.565 176.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.6 t -147.08 99.93 3.23 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.652 0.263 . . . . 0.0 110.837 -178.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.2 88.56 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.069 0.461 . . . . 0.0 111.269 179.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -164.67 120.95 1.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -149.21 158.97 44.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.489 -179.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.5 pp -158.41 128.57 6.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.168 0.509 . . . . 0.0 110.881 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -137.48 132.64 33.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.317 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 161.77 107.28 0.22 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 119.689 -1.243 . . . . 0.0 113.836 178.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 60.4 mmtt -142.78 132.83 24.38 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 173.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.1 m -102.41 163.58 3.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.073 0.463 . . . . 0.0 111.843 -173.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.481 ' HA ' ' NE ' ' A' ' 136' ' ' ARG . 3.5 mmp_? -120.53 130.67 54.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.936 177.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -116.1 97.88 50.26 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 176.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -86.16 137.86 5.47 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 123.436 2.757 . . . . 0.0 112.474 178.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.8 mp -112.23 153.14 27.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.125 0.488 . . . . 0.0 110.762 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -116.49 130.89 57.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.26 178.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 5.7 tt -157.92 114.69 2.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.999 0.428 . . . . 0.0 110.949 -176.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -156.04 112.78 3.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.729 169.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -89.99 84.27 6.17 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -81.51 107.6 14.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.075 -0.966 . . . . 0.0 110.17 -175.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -112.22 140.71 46.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.977 0.418 . . . . 0.0 111.071 -175.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 43.3 m-70 -110.9 -168.5 1.31 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.781 175.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -140.09 106.78 5.35 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.767 -0.456 . . . . 0.0 109.767 175.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.668 -0.682 . . . . 0.0 109.961 177.278 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.0 ttp . . . . . 0 N--CA 1.483 1.18 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.604 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 34.6 mm -76.04 111.67 12.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.899 0.38 . . . . 0.0 110.3 -177.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.2 114.87 27.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.628 179.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.3 mm -99.52 160.98 3.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 8.4 t -64.03 147.79 51.29 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 177.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.421 ' HB2' ' O ' ' A' ' 5' ' ' SER . 0.1 OUTLIER 67.06 -167.08 0.21 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.455 -173.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 t -81.37 47.52 1.05 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.474 0.654 . . . . 0.0 111.514 -175.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 43.1 t -122.02 135.68 61.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.1 m -152.46 158.57 42.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.539 0.209 . . . . 0.0 110.687 178.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.604 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 40.3 mt -121.08 125.97 74.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.105 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.536 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -72.37 162.27 29.7 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.118 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -62.28 -44.13 97.23 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.299 -175.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -72.98 -15.99 61.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -177.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.536 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 14.0 mm-40 -80.16 -12.86 59.61 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-O 121.165 0.507 . . . . 0.0 110.768 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.518 HD21 HG13 ' A' ' 2' ' ' ILE . 96.8 mt -84.5 129.3 34.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.642 179.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -85.32 94.99 9.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.009 0.433 . . . . 0.0 109.914 175.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.8 mm -95.15 123.92 47.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.932 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.88 147.72 46.63 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.8 137.99 31.88 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 177.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.655 ' O ' ' HA ' ' A' ' 34' ' ' SER . 50.6 mt -81.69 108.99 15.37 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 CA-C-O 120.996 0.427 . . . . 0.0 110.259 178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -104.8 112.18 25.19 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.525 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB3' ' OG1' ' A' ' 33' ' ' THR . . . -98.12 179.65 4.69 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.345 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -66.34 148.51 51.75 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.887 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.22 143.54 16.54 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.783 -0.722 . . . . 0.0 111.324 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' A' ' 30' ' ' VAL . . . -57.58 132.96 54.78 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.655 0.264 . . . . 0.0 111.063 179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -98.98 159.77 20.13 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.696 -176.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.64 -135.26 15.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.632 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -87.82 157.84 18.9 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 30.0 m80 60.21 94.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.588 0.708 . . . . 0.0 110.294 -174.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.406 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 27.3 t -107.68 136.19 43.8 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.097 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.615 -176.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -143.01 123.04 13.58 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.661 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -101.61 123.41 45.58 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 175.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.506 ' OG1' ' HB3' ' A' ' 22' ' ' ALA . 4.5 p -101.95 120.79 40.97 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.239 0.542 . . . . 0.0 111.224 -177.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.655 ' HA ' ' O ' ' A' ' 20' ' ' ILE . 38.4 m -145.76 21.46 1.46 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.031 177.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.2 p -103.59 68.99 0.96 Allowed 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.173 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.591 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -154.69 159.03 40.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.786 177.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.532 HD11 ' HB3' ' A' ' 80' ' ' GLN . 44.6 mm -100.57 131.44 48.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 120.81 0.338 . . . . 0.0 111.49 -174.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.478 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 52.2 t-80 -138.52 119.29 14.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.872 -0.603 . . . . 0.0 109.937 176.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.46 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.7 pt? -129.28 149.84 50.91 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 177.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.542 ' HG3' HG13 ' A' ' 71' ' ' ILE . 35.4 ttp180 -132.33 151.78 51.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.143 -179.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.433 ' HB3' HD11 ' A' ' 70' ' ' ILE . 88.1 t80 -151.58 129.74 11.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.944 0.402 . . . . 0.0 110.699 177.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -105.46 138.26 41.94 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.839 -0.618 . . . . 0.0 111.05 177.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.584 HG13 HD12 ' A' ' 48' ' ' LEU . 2.3 mp -63.14 -43.77 99.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.893 -178.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -29.36 70.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.67 -0.696 . . . . 0.0 111.437 -177.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.74 -45.68 91.44 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -177.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 75.1 m -102.31 -2.1 29.69 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -177.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.23 68.98 1.42 Allowed Glycine 0 C--N 1.319 -0.394 0 CA-C-N 115.734 -0.667 . . . . 0.0 112.658 179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.584 HD12 HG13 ' A' ' 43' ' ' ILE . 89.0 mt -75.37 149.11 84.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-O 120.606 0.241 . . . . 0.0 110.667 179.548 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -60.23 159.28 27.17 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.887 2.392 . . . . 0.0 112.302 177.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.533 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -66.28 -34.21 77.48 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.713 -176.333 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -56.49 -35.9 68.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.01 0.433 . . . . 0.0 110.89 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.47 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 88.3 m-85 -81.54 -50.14 9.73 Favored 'General case' 0 N--CA 1.447 -0.623 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.215 176.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 28.4 ttpp -55.0 -46.95 75.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.122 -174.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 10.4 mm100 -63.5 -40.63 97.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.569 0.223 . . . . 0.0 111.286 -176.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 79.6 mtt180 -74.98 -31.44 61.44 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 121.141 -0.224 . . . . 0.0 111.443 -178.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.508 HD23 HD22 ' A' ' 98' ' ' LEU . 96.2 mt -67.32 -29.42 68.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.767 0.318 . . . . 0.0 110.862 177.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.7 mt -89.41 -28.47 19.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.562 -178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.427 ' OG1' ' HA ' ' A' ' 55' ' ' ARG . 11.9 p -80.79 -37.8 29.62 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 120.758 0.313 . . . . 0.0 111.382 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -91.08 88.44 6.97 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 120.94 0.4 . . . . 0.0 110.021 176.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.7 m -69.44 91.33 0.56 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.049 -177.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.34 152.11 24.3 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.21 173.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 49.7 m-70 -78.63 -16.22 57.6 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.369 0.604 . . . . 0.0 109.665 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.6 mt -67.91 -20.03 65.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.152 170.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.468 ' CD1' HG22 ' A' ' 70' ' ' ILE . 13.7 mm -88.01 126.15 41.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 174.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.579 ' HB2' HD13 ' A' ' 71' ' ' ILE . 21.0 t -68.6 -77.78 0.07 Allowed 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.663 -174.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -174.03 -44.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.742 0.306 . . . . 0.0 110.882 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -82.4 35.19 0.44 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.616 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.33 32.56 75.98 Favored Glycine 0 C--O 1.227 -0.308 0 CA-C-N 116.007 -0.542 . . . . 0.0 113.12 177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 15.0 p -131.48 144.63 36.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 -179.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 64' ' ' ILE . 27.6 pt -101.05 138.62 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 -177.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.579 HD13 ' HB2' ' A' ' 65' ' ' SER . 2.7 mp -132.83 120.3 40.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.913 0.387 . . . . 0.0 110.047 177.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.7 mp -118.28 125.41 74.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.095 0.474 . . . . 0.0 110.201 175.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.578 ' HB2' HD11 ' A' ' 20' ' ' ILE . 0.0 OUTLIER -119.51 150.82 39.61 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 171.492 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.08 155.79 34.69 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.308 0.575 . . . . 0.0 112.273 -174.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.447 ' O ' ' HG3' ' A' ' 75' ' ' GLN . 2.4 pt20 -153.94 101.67 2.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.715 173.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -108.48 -36.75 6.14 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.84 -177.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -170.86 164.99 7.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -174.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 78' ' ' ARG . 7.6 mmt180 -66.99 -1.88 4.64 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.8 m -91.96 90.6 7.49 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 171.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.532 ' HB3' HD11 ' A' ' 37' ' ' ILE . 24.7 mp0 -64.06 -25.3 68.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.846 -174.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.58 -47.06 83.14 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.122 0.487 . . . . 0.0 110.441 176.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.97 -35.1 77.8 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.986 -179.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.543 ' N ' HD22 ' A' ' 83' ' ' ASN . 0.8 OUTLIER -67.61 -36.69 81.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.182 0.515 . . . . 0.0 109.845 179.632 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 84' ' ' ARG . 12.8 ttm180 -63.0 -49.57 74.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.043 177.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -56.59 -42.7 79.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.34 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.44 -41.16 98.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.26 179.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.94 96.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.753 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.617 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 93.6 mt -65.12 -51.0 71.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.825 177.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.81 -36.61 72.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 94' ' ' VAL . 23.7 tpt180 -57.44 -52.07 66.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.096 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.617 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.1 pp -67.07 -38.74 86.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.539 -0.3 . . . . 0.0 110.864 -175.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 92.3 t -62.57 -44.07 99.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 110.524 179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -61.69 -45.7 92.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 178.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 90' ' ' ARG . 82.7 t -57.11 -46.08 84.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.093 179.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 91' ' ' LEU . 84.6 mt -58.6 -45.88 90.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 120.817 0.341 . . . . 0.0 110.553 178.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -69.52 -19.89 63.71 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.786 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 8.5 mm-40 -75.93 -48.95 19.22 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.034 0.445 . . . . 0.0 110.467 176.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.508 HD22 HD23 ' A' ' 56' ' ' LEU . 11.1 mp -71.21 -40.81 70.9 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.166 -177.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.8 p -108.63 42.11 1.46 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.042 0.449 . . . . 0.0 111.212 -178.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -61.46 140.2 58.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.813 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.618 ' HG2' ' H ' ' A' ' 102' ' ' GLN . 15.7 tt0 -89.33 -169.01 2.34 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.618 ' H ' ' HG2' ' A' ' 101' ' ' GLU . 30.3 mm-40 -71.81 102.42 2.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.118 0.485 . . . . 0.0 110.839 -179.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -88.59 178.96 6.37 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.084 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.1 m 67.22 10.88 8.05 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.384 0.673 . . . . 0.0 112.004 177.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -87.28 164.28 16.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.27 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 106' ' ' ARG . 25.8 ttt180 -111.33 140.96 45.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.235 179.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.74 111.33 4.2 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 173.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . 0.461 HG23 ' HG3' ' A' ' 109' ' ' ARG . 9.8 t -76.04 0.87 17.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.574 0.702 . . . . 0.0 111.403 -176.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.461 ' HG3' HG23 ' A' ' 108' ' ' THR . 86.5 mtt180 -129.28 92.62 38.3 Favored Pre-proline 0 C--N 1.317 -0.824 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.942 -179.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -82.88 -179.88 4.78 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 123.264 2.643 . . . . 0.0 111.825 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 37.6 m 71.43 159.15 0.2 Allowed 'General case' 0 CA--C 1.538 0.517 0 O-C-N 123.442 0.464 . . . . 0.0 111.408 177.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.574 ' HA ' ' HE ' ' A' ' 112' ' ' ARG . 2.8 mmp_? 78.58 -23.74 0.24 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.809 0.843 . . . . 0.0 111.858 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -60.67 111.19 1.52 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.9 m -112.02 102.85 11.04 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.353 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.2 137.95 54.65 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.055 0.455 . . . . 0.0 111.136 -177.565 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -125.57 136.2 53.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.836 -176.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -144.3 152.37 40.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.868 0.366 . . . . 0.0 111.128 -177.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -162.4 149.87 13.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.013 174.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.493 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 1.7 pt? -153.07 105.58 2.93 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.201 0.524 . . . . 0.0 110.184 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 21.7 p -152.58 98.91 2.42 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.605 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' A' ' 122' ' ' LYS . 87.1 p -164.03 168.44 19.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.521 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.558 ' HB2' ' NZ ' ' A' ' 122' ' ' LYS . 8.8 mtmp? 74.26 99.73 0.07 Allowed 'General case' 0 N--CA 1.469 0.479 0 O-C-N 123.972 0.795 . . . . 0.0 111.819 177.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -143.67 117.03 9.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.601 174.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -155.2 127.46 7.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.765 0.317 . . . . 0.0 110.988 -177.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -132.05 126.7 34.48 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.946 176.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 19.9 t 179.35 108.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 O-C-N 123.569 0.543 . . . . 0.0 110.33 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 32.2 m -143.49 108.07 4.85 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 4.8 p -131.82 88.93 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 122.145 0.974 . . . . 0.0 111.832 -176.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.415 ' HE3' ' HB3' ' A' ' 129' ' ' LYS . 27.7 mtpp -138.77 91.71 2.55 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.881 174.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -122.8 128.35 50.32 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.22 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.441 HD23 ' H ' ' A' ' 131' ' ' LEU . 2.3 pt? -132.36 147.0 52.37 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.996 0.427 . . . . 0.0 110.337 -178.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.767 ' HA ' ' HE ' ' A' ' 132' ' ' ARG . 0.7 OUTLIER -118.94 141.13 48.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.214 -179.024 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -110.36 -159.47 17.11 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.034 -178.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.538 ' O ' ' HD2' ' A' ' 134' ' ' LYS . 0.0 OUTLIER -149.61 127.26 11.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.262 0.554 . . . . 0.0 110.772 177.526 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 42.2 t -101.35 85.48 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-O 121.451 0.644 . . . . 0.0 110.086 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 55.8 ttt85 -162.07 111.79 1.52 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.285 -0.87 . . . . 0.0 109.385 175.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -149.29 89.71 4.78 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.327 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -92.64 157.61 2.91 Favored 'Trans proline' 0 N--CA 1.448 -1.173 0 C-N-CA 123.195 2.596 . . . . 0.0 111.683 174.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.8 mp -98.44 126.58 44.03 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -72.26 137.29 46.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.98 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 5.4 tt -78.3 95.9 5.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.19 0.519 . . . . 0.0 109.856 -177.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 -99.28 94.22 6.35 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.007 178.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -135.56 104.0 5.65 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.181 178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -65.47 171.72 3.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.233 176.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 63.9 m80 -61.16 148.45 40.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.122 0.487 . . . . 0.0 112.152 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 72.7 t60 -51.74 133.38 31.33 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 114.917 -1.038 . . . . 0.0 112.669 -175.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -98.04 132.51 43.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.568 174.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 35.3 p80 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.315 -0.85 . . . . 0.0 109.805 177.062 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.4 ptm . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.541 HD11 HD11 ' A' ' 15' ' ' LEU . 4.4 mp -91.99 122.03 43.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.988 -176.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.54 108.07 20.71 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.677 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.494 ' HB ' ' O ' ' A' ' 8' ' ' VAL . 42.1 mm -95.8 159.87 2.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 m -65.91 -178.99 0.65 Allowed 'General case' 0 C--O 1.239 0.545 0 N-CA-C 112.634 0.605 . . . . 0.0 112.634 -175.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 69.91 -76.91 0.06 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.019 -177.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.6 t -178.55 24.27 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.946 0.403 . . . . 0.0 110.798 -177.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.494 ' O ' ' HB ' ' A' ' 4' ' ' ILE . 44.5 t -116.76 117.26 54.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.613 0.244 . . . . 0.0 110.949 -174.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 m -115.39 150.47 36.32 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 174.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 3.8 mp -123.63 130.28 74.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.97 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.469 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -68.18 129.67 40.62 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.513 178.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -75.94 -13.19 60.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.252 0.549 . . . . 0.0 110.393 -178.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -74.8 -12.42 60.39 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.39 176.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.469 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 19.3 mm-40 -87.55 -9.65 53.82 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.353 -179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.541 HD11 HD11 ' A' ' 2' ' ' ILE . 85.5 mt -77.07 143.75 39.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.188 0.518 . . . . 0.0 111.79 -173.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.657 ' HB2' ' HB2' ' A' ' 40' ' ' ARG . 45.9 mt-10 -91.47 109.02 20.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.252 175.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.8 mm -89.95 127.91 42.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.08 178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.13 147.51 50.18 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.281 179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.06 149.15 21.92 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.084 177.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 40.3 mm -87.41 127.02 41.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.107 0.479 . . . . 0.0 110.452 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -123.08 -172.6 2.53 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.003 -177.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.67 15.68 25.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.295 0.569 . . . . 0.0 109.937 177.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -96.79 -158.31 0.65 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.409 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 27' ' ' GLY . . . -95.7 -157.83 32.13 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.174 176.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 75.02 -48.59 0.64 Allowed 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.596 0.758 . . . . 0.0 111.546 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -105.71 54.87 0.58 Allowed Glycine 0 N--CA 1.451 -0.334 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 174.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.438 ' O ' ' HA2' ' A' ' 24' ' ' GLY . . . 97.48 -167.53 23.52 Favored Glycine 0 N--CA 1.443 -0.841 0 N-CA-C 109.884 -1.286 . . . . 0.0 109.884 -168.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -139.2 133.53 31.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 117.619 0.71 . . . . 0.0 109.574 174.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.2 p80 40.77 94.13 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 O-C-N 124.597 1.186 . . . . 0.0 113.429 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.782 HG22 ' H ' ' A' ' 32' ' ' LYS . 13.5 p -140.11 152.73 22.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.003 -178.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -120.11 13.16 12.04 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.921 0.391 . . . . 0.0 111.33 -178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.782 ' H ' HG22 ' A' ' 30' ' ' VAL . 22.2 mttp -102.86 85.18 2.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.627 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.8 t -152.25 102.54 2.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.052 0.929 . . . . 0.0 111.347 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 p -115.27 -67.63 0.98 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.018 -0.992 . . . . 0.0 109.454 176.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.751 ' HB2' HE22 ' A' ' 80' ' ' GLN . 4.2 p -138.56 84.59 2.03 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.293 174.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.497 ' HB2' ' HB3' ' A' ' 75' ' ' GLN . . . -118.45 130.36 55.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.428 -173.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.488 HD11 ' HG3' ' A' ' 80' ' ' GLN . 25.7 mm -100.61 120.45 50.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.656 176.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 27.1 t-80 -118.15 107.44 13.97 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.458 174.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.692 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.7 pt? -112.09 149.44 32.11 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.857 -0.337 . . . . 0.0 110.469 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.657 ' HB2' ' HB2' ' A' ' 16' ' ' GLU . 79.0 mtp180 -108.14 114.82 29.0 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.615 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -115.32 101.57 9.06 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.432 -0.951 . . . . 0.0 108.432 173.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.474 ' HB3' HG23 ' A' ' 69' ' ' VAL . 7.7 p-10 -110.33 140.87 44.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.791 0.805 . . . . 0.0 111.954 -173.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.818 HG13 HD12 ' A' ' 48' ' ' LEU . 2.5 mp -73.68 -40.62 54.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.166 178.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -44.27 -48.22 9.46 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.292 -0.867 . . . . 0.0 112.954 -175.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.43 -20.27 28.42 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -176.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 p -94.94 178.81 5.44 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-O 121.149 0.5 . . . . 0.0 111.063 -174.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.05 60.2 0.56 Allowed Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.675 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.818 HD12 HG13 ' A' ' 43' ' ' ILE . 92.5 mt -76.25 147.39 79.5 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-O 120.545 0.212 . . . . 0.0 110.516 -179.375 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -56.43 131.49 46.07 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.888 2.392 . . . . 0.0 111.564 177.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.586 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 44.0 tt0 -63.38 -30.97 72.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.413 -173.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -57.68 -40.21 78.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.624 177.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.445 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 5.4 m-85 -81.0 -38.25 27.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.157 0.503 . . . . 0.0 110.001 176.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.586 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 87.7 tttt -54.97 -48.29 73.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.938 -1.028 . . . . 0.0 111.556 -179.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.425 ' HA ' ' OE1' ' A' ' 54' ' ' GLN . 16.0 mm-40 -61.87 -42.7 99.37 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.366 -178.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -59.67 -43.0 94.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.629 -0.26 . . . . 0.0 110.989 177.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.502 ' HA ' HD23 ' A' ' 98' ' ' LEU . 83.4 mt -63.23 -39.38 94.45 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.044 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.0 mt -78.27 -14.93 59.22 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.609 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 94.8 m -92.42 -49.26 6.23 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.529 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.439 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . . . -97.5 96.4 8.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.953 0.406 . . . . 0.0 111.723 -175.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 26.4 t -77.89 79.31 4.37 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 173.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.491 ' O ' ' HB2' ' A' ' 62' ' ' HIS . 2.8 t60 -64.14 -43.83 94.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.874 -176.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.491 ' HB2' ' O ' ' A' ' 61' ' ' HIS . 66.6 t60 173.56 -40.72 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 O-C-N 123.862 0.726 . . . . 0.0 110.391 174.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.432 HD13 HG13 ' A' ' 72' ' ' ILE . 82.8 mt -78.16 -13.89 59.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.746 -176.69 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 29.1 mm -84.25 125.23 40.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 109.581 -0.525 . . . . 0.0 109.581 179.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 m -86.69 -85.02 0.17 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.095 -178.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -161.07 -54.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.578 0.228 . . . . 0.0 111.027 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -61.75 -15.94 45.26 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.344 -174.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.59 39.83 2.31 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -173.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.474 HG23 ' HB3' ' A' ' 42' ' ' ASP . 7.1 p -128.87 143.38 41.37 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 178.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 43.3 mt -105.99 118.45 53.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.915 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.9 mp -106.12 117.73 52.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.121 0.486 . . . . 0.0 110.419 178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.692 ' HB ' HD21 ' A' ' 39' ' ' LEU . 4.5 mp -114.39 125.26 71.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 37' ' ' ILE . 6.1 ptmm? -119.34 129.73 55.0 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 174.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -126.28 123.5 38.23 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.347 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.497 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . 3.1 pt20 -157.2 102.22 1.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.982 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -144.63 -43.84 0.24 Allowed 'General case' 0 N--CA 1.444 -0.768 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.423 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 39.0 t80 -128.34 173.17 10.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.359 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.846 ' HG2' ' H ' ' A' ' 79' ' ' SER . 16.9 ttp180 -90.93 -164.4 1.17 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.67 -0.492 . . . . 0.0 109.67 179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.846 ' H ' ' HG2' ' A' ' 78' ' ' ARG . 23.8 m 68.44 82.33 0.17 Allowed 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.434 0.635 . . . . 0.0 109.965 -176.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.751 HE22 ' HB2' ' A' ' 35' ' ' SER . 1.3 mp0 -59.4 -16.33 22.4 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.125 -0.943 . . . . 0.0 112.804 -172.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -56.79 -50.16 73.17 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 120.864 0.364 . . . . 0.0 110.719 175.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 79' ' ' SER . 4.0 pp -76.47 -34.47 58.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.332 -178.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -57.44 -41.92 81.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.417 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 32.5 ttm180 -61.88 -52.45 64.05 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.3 178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -60.7 -41.87 96.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.782 -178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.471 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -62.47 -38.98 91.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.031 179.163 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.28 -42.85 99.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.975 0.417 . . . . 0.0 110.384 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.648 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 76.9 mt -64.09 -47.95 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.591 177.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.79 -39.25 77.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.471 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 6.2 mpt_? -59.69 -48.37 81.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.747 177.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.648 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.8 pp -69.55 -34.86 74.81 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.904 -0.318 . . . . 0.0 110.784 -176.448 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 88' ' ' ILE . 93.7 t -62.04 -44.48 99.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.935 178.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.44 -43.84 96.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.59 178.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 90' ' ' ARG . 90.8 t -59.94 -39.42 80.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.961 178.239 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 91' ' ' LEU . 83.5 mt -57.2 -41.18 77.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.688 177.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -67.54 -32.68 73.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.314 178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.5 -34.19 73.94 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.841 0.353 . . . . 0.0 111.455 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.502 HD23 ' HA ' ' A' ' 56' ' ' LEU . 11.3 mp -89.49 -8.34 53.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.913 -176.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.9 p -102.0 -56.26 2.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.012 0.434 . . . . 0.0 110.625 177.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -91.56 170.67 9.75 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.501 176.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -51.02 116.96 2.24 Favored 'General case' 0 N--CA 1.45 -0.465 0 O-C-N 123.079 0.237 . . . . 0.0 110.415 175.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -49.57 126.5 13.64 Favored 'General case' 0 C--O 1.233 0.219 0 O-C-N 123.951 0.782 . . . . 0.0 112.17 -171.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -91.14 155.34 18.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.633 -177.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 20.0 p -70.48 113.37 7.54 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.909 0.385 . . . . 0.0 111.49 -178.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.509 ' NE ' ' HA ' ' A' ' 105' ' ' ARG . 3.5 mmp_? -123.85 150.48 44.52 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 176.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 106' ' ' ARG . 0.1 OUTLIER -81.16 100.88 9.31 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 -179.257 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -105.61 113.44 27.01 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.758 -175.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 21.0 m -87.01 109.2 19.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.287 173.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.766 ' HB2' ' HD3' ' A' ' 110' ' ' PRO . 95.8 mtt180 -96.59 -66.12 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -173.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.766 ' HD3' ' HB2' ' A' ' 109' ' ' ARG . 92.5 Cg_endo -89.56 140.14 3.58 Favored 'Trans proline' 0 C--N 1.351 0.698 0 C-N-CA 122.215 1.944 . . . . 0.0 114.685 -165.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 111' ' ' THR . 7.6 t -175.11 97.6 0.08 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.461 171.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 31.2 mtp180 -138.8 135.81 35.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.318 -176.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -142.4 -84.49 0.17 Allowed 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.44 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 49.2 m -68.63 132.93 47.72 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.949 0.404 . . . . 0.0 111.336 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -120.35 136.32 54.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.625 -176.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -164.02 94.68 0.75 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.031 0.444 . . . . 0.0 110.595 178.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -147.94 100.71 3.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.124 176.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 118' ' ' ARG . 44.5 mtp85 -88.42 157.71 18.6 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.502 178.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -127.66 122.25 32.53 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.1 p -144.63 96.89 2.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.115 0.483 . . . . 0.0 111.475 -178.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.8 p -163.34 114.17 1.4 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.058 177.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -152.14 139.01 18.96 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.299 178.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -149.69 142.66 24.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.524 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -147.36 151.92 37.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.642 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -164.8 144.58 7.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.154 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 13.8 m -129.58 124.56 34.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.733 0.301 . . . . 0.0 110.808 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.5 m -152.61 97.12 2.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.9 177.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 2.9 m -143.14 114.13 2.59 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.139 0.495 . . . . 0.0 111.622 -178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -153.2 136.11 15.44 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.796 176.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -154.33 155.08 34.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.664 178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 2.7 pp -158.99 165.67 33.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.71 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -171.8 144.86 1.84 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.767 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -164.38 127.7 1.69 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.068 177.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 12.4 tppt? -149.14 133.86 17.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.712 0.256 . . . . 0.0 110.639 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 6.6 p -153.0 123.85 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.984 0.421 . . . . 0.0 110.773 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 71.5 mtp180 -132.35 178.2 7.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.021 179.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -146.62 150.01 38.66 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.051 -178.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.67 -171.44 0.32 Allowed 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.966 2.444 . . . . 0.0 111.867 175.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 40.6 tp -141.09 118.58 11.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.892 0.377 . . . . 0.0 111.343 -176.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -88.98 121.38 31.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.723 175.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.8 mt -128.61 164.92 21.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.855 0.359 . . . . 0.0 111.19 -176.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.84 168.38 13.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.677 174.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 14.3 p80 -160.57 117.56 2.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.139 0.495 . . . . 0.0 110.448 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 45.2 p-80 -74.54 144.24 44.14 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.987 -178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -123.59 109.73 14.14 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 175.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -106.19 129.36 54.26 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.781 -175.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 40.8 m80 -71.36 -20.74 62.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.565 -174.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 . . . . . 0 C--O 1.245 0.817 0 CA-C-O 118.944 -0.551 . . . . 0.0 109.968 177.915 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.0 tpt . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 3.7 mp -92.84 97.07 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 178.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.42 102.67 14.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.138 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.57 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 18.4 mm -84.17 154.6 3.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 176.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 m -72.27 168.09 19.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.11 0.481 . . . . 0.0 111.146 -178.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.438 ' HG2' HG22 ' A' ' 7' ' ' THR . 40.4 ttm180 69.7 -76.17 0.06 Allowed 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.679 177.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.438 HG22 ' HG2' ' A' ' 6' ' ' ARG . 11.1 t -161.57 20.02 0.11 Allowed 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -170.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.57 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 22.3 t -120.3 145.76 26.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 121.833 -0.542 . . . . 0.0 110.514 -177.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.9 m -154.54 151.73 29.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 173.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.538 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 3.8 mp -126.07 139.34 51.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.52 146.53 53.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.191 0.52 . . . . 0.0 111.429 -178.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.53 -43.02 99.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.922 -171.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -87.38 10.33 17.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.874 0.368 . . . . 0.0 111.572 -173.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -89.61 -0.45 57.53 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 120.778 0.323 . . . . 0.0 111.215 177.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.9 mt -80.78 145.72 31.34 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.103 179.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -93.4 114.27 26.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.187 174.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 47.3 mm -109.86 114.85 48.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.115 -176.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.89 149.74 31.43 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.059 179.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -96.2 150.55 20.4 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.158 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 49.8 mt -104.31 129.6 56.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.768 0.318 . . . . 0.0 110.351 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 38.8 ttt180 -74.03 -65.32 0.85 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.4 -177.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -118.35 172.81 7.2 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.715 -176.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.645 ' NE2' ' HA ' ' A' ' 30' ' ' VAL . 11.3 mt-30 -86.1 120.69 27.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.468 -178.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.41 51.73 4.6 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.593 176.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -163.42 104.82 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.683 0.393 . . . . 0.0 110.167 -178.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -95.2 99.81 2.46 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.97 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 163.38 -42.74 0.33 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.862 -0.685 . . . . 0.0 111.766 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -82.47 177.31 8.8 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.247 -0.279 . . . . 0.0 110.247 178.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 -56.16 126.93 28.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.948 0.404 . . . . 0.0 111.007 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.645 ' HA ' ' NE2' ' A' ' 23' ' ' GLN . 21.5 t -107.61 135.7 45.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 -176.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.73 148.97 27.87 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.675 175.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 mppt? -93.84 80.32 4.18 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.326 0.584 . . . . 0.0 110.513 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 88.8 m -155.98 129.4 8.27 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.298 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 46.9 m -78.24 83.45 4.49 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.234 0.54 . . . . 0.0 110.666 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.694 ' HA ' HE21 ' A' ' 80' ' ' GLN . 12.0 p -104.55 9.81 35.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.943 175.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.36 133.05 54.67 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.548 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.484 HD11 ' HB3' ' A' ' 80' ' ' GLN . 46.9 mm -100.33 129.54 50.93 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.398 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -118.87 112.39 19.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.005 178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.455 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.1 pt? -125.63 149.91 48.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.943 0.401 . . . . 0.0 110.679 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -127.12 140.27 52.38 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.027 178.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -134.68 112.75 11.04 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.5 177.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.517 ' HB3' HG23 ' A' ' 69' ' ' VAL . 5.9 p-10 -112.02 162.07 15.78 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.967 0.413 . . . . 0.0 110.76 -178.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 68' ' ' GLY . 35.1 mt -56.22 -44.47 79.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.508 -179.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 mpt_? -68.34 -13.25 62.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.835 -173.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.74 -5.39 55.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.954 0.407 . . . . 0.0 111.4 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.9 t -155.67 -163.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.276 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -122.52 61.17 0.56 Allowed Glycine 0 N--CA 1.447 -0.577 0 N-CA-C 111.169 -0.773 . . . . 0.0 111.169 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.455 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 86.0 mt -66.59 143.91 98.38 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.598 0.237 . . . . 0.0 110.941 -176.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 24.9 Cg_exo -62.96 143.35 90.97 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.484 2.123 . . . . 0.0 111.561 177.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.466 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 13.8 pt-20 -59.66 -29.25 67.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.363 -176.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.47 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 89.5 m-85 -62.32 -34.22 76.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.79 179.299 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.571 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 25.8 m-85 -81.57 -42.79 19.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.708 176.438 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.466 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 12.1 tmtt? -56.83 -43.56 81.19 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.716 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -63.95 -45.89 87.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.714 0.292 . . . . 0.0 111.264 178.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.524 ' HD3' ' O ' ' A' ' 98' ' ' LEU . 72.7 mtt180 -66.54 -24.71 66.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.672 -177.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 52' ' ' TYR . 95.5 mt -61.01 -31.52 71.13 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.021 0.439 . . . . 0.0 111.059 177.073 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -91.35 -22.3 20.58 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.375 -177.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.519 ' OG1' ' HA ' ' A' ' 55' ' ' ARG . 34.7 p -86.78 -39.3 16.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.74 0.305 . . . . 0.0 111.441 -177.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.533 ' HB3' ' HG ' ' A' ' 98' ' ' LEU . . . -95.9 87.65 4.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.984 0.421 . . . . 0.0 110.933 -179.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.9 m -60.73 130.96 49.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.507 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -137.7 158.71 43.79 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.419 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -69.22 0.44 4.85 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.811 -177.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.488 HD12 HG21 ' A' ' 94' ' ' VAL . 93.2 mt -104.75 -8.3 18.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.061 0.458 . . . . 0.0 110.846 179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.3 mm -89.59 134.69 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.346 -178.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.413 ' OG ' HD13 ' A' ' 71' ' ' ILE . 28.0 m -90.8 -63.76 1.22 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.65 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -158.77 -75.72 0.08 Allowed 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -177.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -99.47 60.34 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.304 0.573 . . . . 0.0 111.708 -169.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.437 ' O ' HG13 ' A' ' 43' ' ' ILE . . . 72.41 38.59 58.1 Favored Glycine 0 C--N 1.322 -0.202 0 CA-C-N 115.393 -0.821 . . . . 0.0 113.667 171.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.517 HG23 ' HB3' ' A' ' 42' ' ' ASP . 9.0 p -120.96 142.29 37.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 173.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.5 mp -112.41 117.4 55.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.979 -178.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.413 HD13 ' OG ' ' A' ' 65' ' ' SER . 1.8 mp -107.91 121.21 60.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.856 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.1 mp -115.36 131.81 66.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 37' ' ' ILE . 14.6 pttp -119.58 131.46 55.52 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 171.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.708 ' HB2' ' HB2' ' A' ' 87' ' ' ALA . . . -115.7 133.01 56.46 Favored 'General case' 0 C--N 1.309 -1.169 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.37 -176.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 75' ' ' GLN . 0.6 OUTLIER -153.57 104.12 2.7 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.659 0.742 . . . . 0.0 109.588 179.771 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.514 ' HG2' ' CD2' ' A' ' 77' ' ' PHE . 40.1 tt0 -112.11 -79.18 0.58 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.338 -0.846 . . . . 0.0 109.846 178.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.514 ' CD2' ' HG2' ' A' ' 76' ' ' GLU . 68.0 m-85 -120.23 -84.86 0.66 Allowed 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.057 -0.257 . . . . 0.0 111.422 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.629 ' HA ' ' HB2' ' A' ' 35' ' ' SER . 39.7 ttm-85 -154.49 4.81 0.25 Allowed 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 120.775 -0.37 . . . . 0.0 111.696 -176.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 m -98.23 97.23 8.66 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.856 0.36 . . . . 0.0 110.783 -176.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.694 HE21 ' HA ' ' A' ' 35' ' ' SER . 26.0 mp0 -56.31 -41.93 76.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.772 -175.131 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.463 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 44.2 tt0 -59.03 -55.26 37.47 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -175.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 pp -72.05 -31.02 65.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.769 0.318 . . . . 0.0 110.279 -176.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.64 -41.03 98.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.319 -0.4 . . . . 0.0 109.929 175.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 45.4 ttp180 -60.04 -54.51 45.13 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.464 176.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.463 ' HG2' ' O ' ' A' ' 81' ' ' GLU . 16.9 mm-40 -57.69 -38.77 75.74 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.408 -179.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.526 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -65.37 -39.37 92.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.889 177.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.708 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . . . -62.7 -37.21 85.59 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.97 0.414 . . . . 0.0 110.376 177.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.672 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 74.7 mt -64.47 -48.61 84.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.181 175.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.33 -34.8 74.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.859 177.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.526 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 7.6 mpt_? -58.32 -50.93 71.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.319 176.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 4.0 pp -68.05 -34.13 75.88 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 121.069 -0.252 . . . . 0.0 110.463 -176.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 88' ' ' ILE . 85.2 t -60.15 -44.38 95.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.697 175.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.517 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -63.95 -39.66 94.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.643 178.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.488 HG21 HD12 ' A' ' 63' ' ' LEU . 71.2 t -60.66 -41.82 89.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.502 177.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 91' ' ' LEU . 91.4 mt -55.42 -41.65 63.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.716 176.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -71.15 -28.62 64.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.18 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.685 ' HB3' HH11 ' A' ' 105' ' ' ARG . 87.3 mt-10 -70.24 -37.79 75.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.989 0.423 . . . . 0.0 110.573 177.607 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.533 ' HG ' ' HB3' ' A' ' 59' ' ' ALA . 11.1 mp -80.01 -38.43 32.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.245 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.2 m -89.83 18.57 5.5 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.465 0.65 . . . . 0.0 110.679 -178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.69 167.1 13.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.579 -178.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 102' ' ' GLN . 34.9 tt0 -95.33 161.4 14.1 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.316 -0.856 . . . . 0.0 108.848 178.023 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' A' ' 101' ' ' GLU . 15.9 mm100 69.17 -163.82 0.18 Allowed 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -174.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 54.3 tttp -78.57 -75.52 0.23 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.694 0.283 . . . . 0.0 110.671 -178.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 17.1 t 55.93 -169.85 0.08 Allowed 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.321 -177.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.993 ' HA ' ' HE ' ' A' ' 105' ' ' ARG . 0.1 OUTLIER 46.57 43.37 12.33 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.72 0.808 . . . . 0.0 112.426 174.657 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -80.65 -12.87 59.43 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.281 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.77 94.65 8.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.943 176.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 1.8 t -115.01 125.18 53.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.816 -177.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -122.14 100.41 42.56 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.291 175.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -69.97 111.93 2.98 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 123.032 2.488 . . . . 0.0 112.878 -176.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 60.2 m -102.04 129.84 48.45 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 172.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 112' ' ' ARG . 0.7 OUTLIER -117.74 75.27 0.98 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -174.441 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -116.3 111.12 19.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.167 -175.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.6 m -108.21 130.16 55.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.48 -179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -151.22 100.4 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 -178.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -136.5 117.46 14.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.443 -174.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -174.09 146.66 1.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 171.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -148.19 112.2 5.16 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.466 0.651 . . . . 0.0 111.045 -179.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -139.12 10.85 2.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.127 -179.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.8 m -86.0 41.58 0.93 Allowed 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.089 -174.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.9 m -133.52 23.2 4.02 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -172.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 122' ' ' LYS . 0.3 OUTLIER -138.08 120.45 15.92 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 120.23 -0.588 . . . . 0.0 110.908 175.47 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -179.66 119.04 0.06 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.692 -178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 10.9 tm0? -146.91 103.53 3.63 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.78 -178.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.451 ' HD2' ' HA ' ' A' ' 125' ' ' LYS . 42.6 tptt -171.12 104.7 0.22 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.126 171.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 61.0 m -156.31 75.59 0.88 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.573 178.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.1 m -164.21 95.51 0.76 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.208 178.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 128' ' ' VAL . 5.8 p -159.28 86.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.789 0.804 . . . . 0.0 111.513 177.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 18.7 mtmt -159.91 114.12 2.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.782 173.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -171.66 89.12 0.11 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.325 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.3 tp -144.45 87.79 1.89 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.143 0.497 . . . . 0.0 111.29 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -162.41 98.41 1.02 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.572 171.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -158.53 124.07 1.34 Allowed Glycine 0 N--CA 1.447 -0.58 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -152.18 141.77 21.77 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 26.9 m -70.95 137.1 24.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.692 177.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.675 ' HD2' ' O ' ' A' ' 136' ' ' ARG . 1.5 ppt_? -154.69 133.0 11.84 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.612 -178.238 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -171.95 117.6 0.42 Allowed Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.988 177.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -85.94 149.75 9.62 Favored 'Trans proline' 0 N--CA 1.456 -0.698 0 C-N-CA 122.625 2.217 . . . . 0.0 111.673 174.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 6.6 mp -121.1 105.27 10.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.09 0.471 . . . . 0.0 110.897 -178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -97.99 7.19 46.72 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.46 103.08 0.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.802 -1.09 . . . . 0.0 111.403 -176.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -167.17 111.42 0.72 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.502 175.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -118.83 100.19 7.24 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.629 176.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -72.93 83.27 1.22 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.309 -178.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 38.2 t60 -132.69 77.69 1.76 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.916 -175.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -138.5 91.39 2.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.592 176.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -104.51 144.38 31.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.009 0.433 . . . . 0.0 111.665 -177.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.663 171.718 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.5 ttp . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 57.7 mt -81.85 119.96 32.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.271 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.42 122.66 32.16 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.873 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.694 ' HB ' HG13 ' A' ' 8' ' ' VAL . 24.2 mm -101.21 166.43 2.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.494 -0.928 . . . . 0.0 108.494 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.541 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 42.2 m -55.48 148.6 15.13 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 175.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.541 ' HB2' ' O ' ' A' ' 5' ' ' SER . 8.5 mpt_? 71.05 -164.49 0.14 Allowed 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -167.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.9 t -90.45 5.16 48.73 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.849 0.356 . . . . 0.0 111.714 -176.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.694 HG13 ' HB ' ' A' ' 4' ' ' ILE . 9.1 p -78.48 144.75 10.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.014 0.435 . . . . 0.0 110.719 -178.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.7 m -147.12 155.9 42.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.762 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.0 mt -125.69 135.39 64.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.162 -178.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.495 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -81.6 136.84 35.55 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.944 -0.303 . . . . 0.0 110.267 179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -66.9 -20.04 65.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.084 -178.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -71.75 -23.11 61.55 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.447 178.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.495 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 46.3 mt-10 -78.08 -16.14 58.28 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.032 -179.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -83.04 124.43 30.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.096 0.474 . . . . 0.0 111.031 -177.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -83.1 103.62 12.67 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.462 178.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.422 ' HA ' ' O ' ' A' ' 38' ' ' HIS . 35.5 mm -98.16 130.42 46.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.198 -177.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.84 149.89 50.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.605 -178.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.27 129.71 44.55 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 175.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 38' ' ' HIS . 36.9 mt -104.45 126.45 59.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 -174.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -124.57 102.3 7.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.066 169.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.72 20.72 9.45 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 173.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.53 ' HB2' HG23 ' A' ' 20' ' ' ILE . 82.8 mm-40 -72.53 143.42 48.34 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-O 120.998 0.428 . . . . 0.0 111.289 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.452 ' HA2' ' CB ' ' A' ' 28' ' ' GLN . . . -118.61 61.91 0.45 Allowed Glycine 0 N--CA 1.445 -0.719 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.997 -176.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -148.1 134.74 19.85 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.378 -0.231 . . . . 0.0 110.378 177.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.17 70.76 0.93 Allowed Glycine 0 C--N 1.331 0.298 0 N-CA-C 111.737 -0.545 . . . . 0.0 111.737 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.73 72.86 0.91 Allowed Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -173.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.452 ' CB ' ' HA2' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -62.86 136.14 57.7 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -171.709 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 23.8 m80 59.73 -173.88 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.117 -1.401 . . . . 0.0 111.522 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.7 p -173.01 -33.41 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.308 0.575 . . . . 0.0 110.636 177.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -140.22 153.5 46.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.859 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -69.07 -21.34 64.08 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.177 0.513 . . . . 0.0 110.862 179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.3 m -114.94 12.61 16.85 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.314 178.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' A' ' 35' ' ' SER . 67.1 m 58.63 -150.28 0.44 Allowed 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.96 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.458 ' HB3' ' O ' ' A' ' 34' ' ' SER . 34.9 t 76.91 84.35 0.08 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.75 0.786 . . . . 0.0 110.869 -178.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -151.49 159.68 44.05 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.083 -0.962 . . . . 0.0 109.113 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mm -99.15 127.01 52.26 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-O 121.071 0.462 . . . . 0.0 110.633 -178.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.59 ' HB2' HD11 ' A' ' 20' ' ' ILE . 45.1 t-80 -103.62 125.57 50.22 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.073 177.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.747 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.5 pt? -132.5 144.77 50.67 Favored 'General case' 0 C--N 1.314 -0.938 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 172.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.495 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 39.2 ptt85 -138.7 154.61 48.59 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.963 178.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -152.56 118.49 5.44 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.725 178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.98 81.43 8.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.729 0.775 . . . . 0.0 110.756 179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.563 HG23 ' HB2' ' A' ' 48' ' ' LEU . 54.6 mt -56.01 -42.45 71.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 114.669 -1.15 . . . . 0.0 110.964 178.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.605 ' HB2' ' HA3' ' A' ' 68' ' ' GLY . 41.0 ttt85 -56.48 -24.85 48.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.26 178.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -98.0 -54.17 3.17 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.652 0.263 . . . . 0.0 111.345 -179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -143.19 149.46 38.03 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-O 120.681 0.277 . . . . 0.0 111.518 -175.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.39 -95.42 0.58 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.896 -0.668 . . . . 0.0 114.318 167.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.563 ' HB2' HG23 ' A' ' 43' ' ' ILE . 95.4 mt -75.89 155.39 84.86 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -171.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.581 ' HD3' HG21 ' A' ' 8' ' ' VAL . 31.3 Cg_exo -60.76 153.18 64.36 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.97 2.447 . . . . 0.0 111.718 176.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.577 ' HA ' ' HB3' ' A' ' 53' ' ' LYS . 43.9 mt-10 -68.84 -18.81 64.22 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.88 -174.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.448 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 44.6 m-85 -57.97 -53.47 57.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.791 0.329 . . . . 0.0 110.281 173.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.46 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 54.5 m-85 -65.11 -45.02 86.86 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.492 175.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.577 ' HB3' ' HA ' ' A' ' 50' ' ' GLU . 39.6 ttmt -51.06 -52.3 44.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.967 -176.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -61.7 -41.78 98.06 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -176.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 22.7 mmt180 -67.76 -32.23 72.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.713 0.292 . . . . 0.0 111.199 -178.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.471 HD23 ' HG ' ' A' ' 98' ' ' LEU . 66.0 mt -66.08 -34.46 78.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 57' ' ' LEU . 4.3 mm? -82.96 -44.21 15.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 10.6 p -66.92 -37.52 84.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.377 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.39 83.41 2.82 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 174.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 32.7 m -69.59 92.12 0.63 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.634 0.73 . . . . 0.0 110.305 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.402 ' C ' ' H ' ' A' ' 63' ' ' LEU . 1.9 t60 -85.12 15.31 4.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.616 -175.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.0 t60 71.9 -33.99 0.29 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.968 0.907 . . . . 0.0 111.65 179.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.402 ' H ' ' C ' ' A' ' 61' ' ' HIS . 92.7 mt -63.37 -25.4 68.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.275 0.559 . . . . 0.0 110.376 174.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 21.0 mm -75.09 124.71 33.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 107.817 -1.179 . . . . 0.0 107.817 169.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.456 ' HB2' HG13 ' A' ' 69' ' ' VAL . 16.1 m -74.79 -64.21 1.09 Allowed 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 -168.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -149.25 -81.64 0.12 Allowed 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.367 -0.533 . . . . 0.0 111.88 -175.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -105.39 61.73 0.68 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.553 0.692 . . . . 0.0 110.878 -172.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.605 ' HA3' ' HB2' ' A' ' 44' ' ' ARG . . . 75.37 31.53 56.82 Favored Glycine 0 N--CA 1.453 -0.214 0 CA-C-N 115.241 -0.891 . . . . 0.0 113.481 174.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.456 HG13 ' HB2' ' A' ' 65' ' ' SER . 12.0 p -125.59 144.07 36.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.271 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.495 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 33.3 pt -109.54 129.69 63.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.905 0.383 . . . . 0.0 111.135 179.63 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.409 HG13 ' HB3' ' A' ' 40' ' ' ARG . 1.7 mp -122.98 117.04 50.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.747 ' HB ' HD21 ' A' ' 39' ' ' LEU . 4.7 mp -114.45 147.86 17.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.134 -177.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -119.14 151.6 38.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.85 0.357 . . . . 0.0 110.164 173.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.23 137.2 12.52 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.933 -178.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -166.84 104.8 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.608 178.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -109.61 -29.35 8.41 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.144 176.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -155.34 -173.57 4.61 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -69.77 -28.73 66.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.624 0.25 . . . . 0.0 110.385 178.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.4 m -59.64 109.5 0.93 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.772 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.507 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 23.8 mp0 -61.41 -41.56 97.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.396 179.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -54.6 -50.71 67.39 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.488 -176.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.663 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 0.1 OUTLIER -68.68 -33.24 73.64 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.68 -178.22 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -69.84 -35.01 74.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.757 0.313 . . . . 0.0 110.466 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.507 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 33.6 mtp-105 -68.28 -48.01 66.14 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.245 175.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.663 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 0.0 OUTLIER -64.46 -34.21 77.67 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.644 -177.416 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.42 ' O ' ' HD2' ' A' ' 90' ' ' ARG . . . -67.79 -40.22 83.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.518 177.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.473 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -61.43 -42.94 99.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.564 177.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.702 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.2 mt -61.38 -49.56 84.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.742 176.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.4 -35.56 79.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.197 -179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.493 ' O ' HG23 ' A' ' 94' ' ' VAL . 0.0 OUTLIER -63.32 -40.14 96.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.638 178.04 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.5 pp -72.81 -34.13 66.66 Favored 'General case' 0 C--N 1.333 -0.124 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.155 -179.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 88' ' ' ILE . 95.4 t -62.63 -37.25 78.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.113 0.483 . . . . 0.0 109.808 174.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.477 ' O ' ' HG3' ' A' ' 97' ' ' GLU . . . -61.79 -41.19 97.42 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.037 176.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.549 ' HA ' ' OE1' ' A' ' 97' ' ' GLU . 44.0 t -64.38 -45.31 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.497 177.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 86.9 mt -55.06 -44.96 76.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.273 0.559 . . . . 0.0 110.375 175.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.4 ttmm -62.01 -30.29 70.85 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.495 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.549 ' OE1' ' HA ' ' A' ' 94' ' ' VAL . 53.4 mt-10 -66.56 -44.06 83.33 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.878 0.371 . . . . 0.0 111.164 179.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.471 ' HG ' HD23 ' A' ' 56' ' ' LEU . 4.4 mm? -67.77 -34.15 76.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.888 -174.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.0 p -84.05 -11.16 57.17 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.761 0.315 . . . . 0.0 111.54 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -78.27 119.66 21.94 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 175.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -71.06 -44.94 64.73 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.804 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 53.4 tp60 -121.97 111.05 16.58 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.151 178.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.744 ' HG3' ' H ' ' A' ' 104' ' ' SER . 16.6 pttm -131.28 -77.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -175.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.744 ' H ' ' HG3' ' A' ' 103' ' ' LYS . 34.6 t 66.24 178.25 0.21 Allowed 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -173.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.571 ' HG2' ' N ' ' A' ' 106' ' ' ARG . 37.7 ttm180 70.06 167.18 0.29 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.44 0.296 . . . . 0.0 110.904 178.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.571 ' N ' ' HG2' ' A' ' 105' ' ' ARG . 36.2 ttt-85 66.19 43.39 2.84 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.464 0.649 . . . . 0.0 110.607 171.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -121.53 22.39 10.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.588 -176.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 4.7 t -137.49 124.29 21.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.313 0.577 . . . . 0.0 111.915 -177.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -147.0 112.21 4.14 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.281 174.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.6 147.22 90.07 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.675 2.25 . . . . 0.0 112.316 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 17.1 m -133.61 120.54 20.83 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.94 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.481 ' HD2' ' N ' ' A' ' 112' ' ' ARG . 4.0 mpt_? -96.1 127.39 42.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.039 0.447 . . . . 0.0 111.554 -173.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -100.87 75.35 1.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.876 176.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 33.2 m -103.36 129.47 50.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.104 176.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -110.55 157.54 19.53 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.874 0.369 . . . . 0.0 111.607 -173.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -125.05 -57.01 1.53 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.705 -0.679 . . . . 0.0 109.211 171.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 51.33 69.47 0.65 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.839 178.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . 0.45 HH11 ' HD3' ' A' ' 118' ' ' ARG . 35.7 ttt180 -138.24 132.43 31.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.224 -175.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.8 pp -155.1 154.26 32.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.634 179.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 43.3 t -176.98 97.72 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 16.3 m -122.78 100.76 7.07 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -176.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . 0.485 ' O ' ' HG3' ' A' ' 122' ' ' LYS . 23.1 pttm -160.88 113.77 1.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.843 169.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -153.8 93.18 1.63 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -156.36 72.46 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.46 0.648 . . . . 0.0 109.851 171.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -142.04 111.67 6.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.259 178.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.4 p -116.12 104.46 11.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.084 0.468 . . . . 0.0 111.737 -175.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 32.5 t -120.68 128.1 52.66 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 173.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 5.9 m -133.98 114.37 19.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -172.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -163.19 82.49 0.48 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.069 172.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -89.06 101.04 13.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.442 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.0 tt -156.16 126.88 6.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.148 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -150.79 173.95 13.62 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.921 177.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 159.76 100.85 0.17 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.263 -0.97 . . . . 0.0 113.02 178.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 54.2 pttt -163.05 154.51 17.46 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.78 0.324 . . . . 0.0 110.372 176.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 11.5 p -143.35 143.5 24.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 177.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 27.4 ptt180 -119.97 171.29 8.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.996 0.427 . . . . 0.0 111.471 -177.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -117.27 137.68 24.23 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.493 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -72.29 148.04 48.57 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.59 2.193 . . . . 0.0 111.864 175.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 8.8 tt -91.6 133.19 35.77 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -178.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -114.34 146.04 41.02 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.555 -177.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.2 pp -160.76 150.53 17.45 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.55 179.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -136.22 104.74 5.75 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 107.988 -1.115 . . . . 0.0 107.988 171.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 19.3 t-160 -117.16 98.37 6.41 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.118 0.485 . . . . 0.0 110.293 -175.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 22.0 p-80 -106.87 157.62 17.62 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.449 179.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 45.5 p-80 -144.82 135.38 24.47 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -142.54 116.67 9.46 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.988 0.423 . . . . 0.0 111.734 -169.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 12.1 p-80 -135.74 163.8 29.34 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 172.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.149 -0.929 . . . . 0.0 111.013 -178.014 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.3 ptm . . . . . 0 N--CA 1.482 1.156 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 3.3 mp -89.51 124.23 42.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -100.63 127.43 47.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.043 -178.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.783 ' HB ' ' HB ' ' A' ' 8' ' ' VAL . 27.0 mm -109.3 165.5 5.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 178.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.443 ' N ' HG22 ' A' ' 4' ' ' ILE . 9.9 p -64.57 170.6 3.88 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-O 120.785 0.326 . . . . 0.0 111.592 179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.5 mmt85 69.89 -78.87 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.946 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -173.16 21.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.055 0.455 . . . . 0.0 110.728 -179.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.783 ' HB ' ' HB ' ' A' ' 4' ' ' ILE . 25.2 t -91.34 144.66 8.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 -176.29 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.8 m -142.91 150.87 40.36 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.766 0.317 . . . . 0.0 110.609 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 66.9 mt -127.38 143.98 38.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.757 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.542 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -66.08 138.68 57.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.149 0.499 . . . . 0.0 111.092 -179.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.401 ' HA ' ' CD1' ' A' ' 2' ' ' ILE . 24.2 t70 -65.01 -27.49 68.85 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.363 -177.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -81.44 -3.71 53.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.786 -176.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.542 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 52.9 mm-40 -84.06 -48.74 9.58 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 -177.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD12 HG12 ' A' ' 2' ' ' ILE . 66.0 mt -77.02 145.96 37.68 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -175.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 39' ' ' LEU . 44.0 mt-10 -79.66 97.21 6.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.961 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 43.4 mm -88.73 112.2 23.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 175.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.96 151.33 48.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.921 0.391 . . . . 0.0 111.214 -176.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -82.21 150.66 27.24 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.044 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.648 HG12 ' HB2' ' A' ' 38' ' ' HIS . 26.2 mt -85.99 94.88 4.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.29 0.567 . . . . 0.0 112.33 -175.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -95.01 90.72 6.05 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 166.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 31' ' ' ASN . . . -86.68 21.2 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.431 -169.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 73.33 149.43 0.1 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.424 0.631 . . . . 0.0 111.087 179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -168.52 139.18 5.52 Favored Glycine 0 N--CA 1.446 -0.652 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 177.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.22 173.26 6.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.621 0.248 . . . . 0.0 110.885 -178.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -77.54 76.1 1.74 Allowed Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.8 177.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.431 ' O ' ' HG2' ' A' ' 28' ' ' GLN . . . 132.36 91.06 0.49 Allowed Glycine 0 N--CA 1.442 -0.905 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -178.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' A' ' 29' ' ' HIS . 19.3 pt20 53.21 -165.32 0.08 Allowed 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.23 1.012 . . . . 0.0 111.662 -177.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.44 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 32.0 m170 69.6 6.57 5.78 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 122.849 0.46 . . . . 0.0 111.042 -172.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.7 t -72.56 135.99 26.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 175.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.479 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 40.8 m-80 -95.99 -49.23 5.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.815 -171.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.612 ' HG2' ' H ' ' A' ' 33' ' ' THR . 37.5 tttp -157.79 -177.04 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 121.053 -0.259 . . . . 0.0 110.839 -179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.612 ' H ' ' HG2' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -84.65 8.34 17.22 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -175.222 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.554 ' HA ' ' O ' ' A' ' 20' ' ' ILE . 24.6 m 70.72 -12.8 0.52 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.466 0.707 . . . . 0.0 112.827 178.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.451 ' HB3' ' HA ' ' A' ' 78' ' ' ARG . 69.8 m -84.15 67.06 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.349 0.595 . . . . 0.0 110.856 178.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -146.94 158.15 43.84 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.381 177.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.527 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 32.5 mm -101.66 128.92 53.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.253 0.549 . . . . 0.0 111.94 -174.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.648 ' HB2' HG12 ' A' ' 20' ' ' ILE . 46.9 t-80 -122.71 111.7 17.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.648 175.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.531 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.7 pt? -124.86 149.91 47.01 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.042 0.448 . . . . 0.0 110.372 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -103.04 146.0 29.03 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.109 179.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.44 ' HB3' ' CG1' ' A' ' 70' ' ' ILE . 73.4 t80 -145.81 103.81 3.8 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 172.404 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -111.91 161.03 16.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.047 0.451 . . . . 0.0 111.345 -175.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.608 HG21 HD21 ' A' ' 57' ' ' LEU . 3.6 mp -76.11 -42.61 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.099 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.7 ttt85 -59.67 -25.33 64.65 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.347 -171.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -60.17 -28.83 68.25 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 120.7 0.286 . . . . 0.0 110.956 175.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.0 t 65.6 -174.24 0.18 Allowed 'General case' 0 N--CA 1.447 -0.619 0 C-N-CA 123.662 0.785 . . . . 0.0 111.078 178.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.1 -43.94 1.47 Allowed Glycine 0 C--N 1.314 -0.656 0 CA-C-N 115.021 -0.99 . . . . 0.0 111.232 -176.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.52 147.91 82.46 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.568 -0.316 . . . . 0.0 110.38 176.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.496 ' O ' ' HG2' ' A' ' 53' ' ' LYS . 19.6 Cg_endo -62.32 159.16 36.7 Favored 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.677 2.252 . . . . 0.0 111.55 175.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.604 ' H ' ' CD ' ' A' ' 50' ' ' GLU . 3.6 mp0 -50.78 -46.31 59.47 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.302 0.376 . . . . 0.0 110.132 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -50.32 -42.0 52.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.391 -179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.407 ' CE2' HG21 ' A' ' 99' ' ' THR . 16.3 m-85 -82.83 -49.86 9.25 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 49' ' ' PRO . 55.2 pttt -70.69 -32.45 69.69 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -172.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -64.1 -35.27 80.22 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.59 177.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.493 ' HA ' ' OG1' ' A' ' 58' ' ' THR . 8.8 mmt180 -62.58 -25.05 67.88 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 176.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.474 HD13 HG13 ' A' ' 43' ' ' ILE . 81.7 mt -71.02 -28.8 64.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.821 0.343 . . . . 0.0 111.124 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.608 HD21 HG21 ' A' ' 43' ' ' ILE . 3.4 mm? -90.3 -37.59 13.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.836 0.351 . . . . 0.0 110.837 178.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.493 ' OG1' ' HA ' ' A' ' 55' ' ' ARG . 7.4 p -73.93 -45.61 49.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.685 -177.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -88.11 79.8 7.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.154 0.502 . . . . 0.0 110.457 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.7 m -68.96 89.37 0.41 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.733 179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -80.51 165.3 22.27 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.168 176.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 60.6 m-70 -73.53 -23.53 60.02 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 173.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.01 -23.46 67.46 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.344 -1.298 . . . . 0.0 110.742 174.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.499 HD13 HG22 ' A' ' 70' ' ' ILE . 24.2 mm -70.59 124.27 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 106.879 -1.526 . . . . 0.0 106.879 169.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.513 ' HB2' HD13 ' A' ' 71' ' ' ILE . 12.0 m -106.19 -77.54 0.59 Allowed 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 -163.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -76.53 -71.08 0.41 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.016 0.436 . . . . 0.0 110.569 -172.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -143.84 -68.67 0.33 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.462 177.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -121.56 36.61 3.2 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.399 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.8 p -145.16 144.26 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 -178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.499 HG22 HD13 ' A' ' 64' ' ' ILE . 43.5 pt -100.51 133.97 41.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.063 0.459 . . . . 0.0 109.884 174.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.513 HD13 ' HB2' ' A' ' 65' ' ' SER . 1.7 mp -105.94 111.97 37.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 174.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.521 ' HB ' HD21 ' A' ' 39' ' ' LEU . 49.9 mm -98.87 116.4 41.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.541 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -101.68 102.95 13.71 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.685 0.755 . . . . 0.0 110.39 179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.527 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -98.37 124.47 43.05 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 114.342 -1.299 . . . . 0.0 110.394 -175.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -153.34 102.11 2.58 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.121 -176.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -104.21 -67.27 0.91 Allowed 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.559 -0.746 . . . . 0.0 109.737 171.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.5 t80 -178.46 85.14 0.02 OUTLIER 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.718 179.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.451 ' HA ' ' HB3' ' A' ' 35' ' ' SER . 62.5 ttt180 62.9 176.09 0.15 Allowed 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.966 176.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.412 ' H ' ' HG2' ' A' ' 78' ' ' ARG . 16.2 m 69.67 111.13 0.05 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.541 0.686 . . . . 0.0 111.673 175.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -66.17 -26.82 67.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.043 -178.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -58.87 -56.38 22.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.797 0.332 . . . . 0.0 111.856 -177.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.1 pp -76.07 -36.04 59.16 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.258 0.551 . . . . 0.0 110.6 -174.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.514 ' HB3' HG12 ' A' ' 37' ' ' ILE . 33.1 m-20 -64.9 -34.47 78.47 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.286 178.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.7 mtm180 -66.91 -44.17 81.43 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.315 175.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -61.34 -41.42 97.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.172 -179.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.61 -44.39 97.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.273 176.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.432 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . . . -58.24 -49.11 78.26 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.862 177.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.527 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 85.4 mt -59.65 -52.37 61.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.886 179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.83 -38.72 79.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.689 -177.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.474 ' O ' HG23 ' A' ' 94' ' ' VAL . 26.3 mmm180 -73.16 -35.95 66.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.758 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 2.6 pp -73.95 -36.05 64.59 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.365 -179.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.569 HG12 ' HE2' ' A' ' 96' ' ' LYS . 58.7 t -68.72 -32.2 53.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 176.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.529 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . . . -58.65 -41.3 85.73 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.759 175.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 90' ' ' ARG . 16.8 t -58.51 -40.21 77.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-O 121.11 0.481 . . . . 0.0 110.41 176.156 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' A' ' 92' ' ' VAL . 65.5 mt -58.86 -36.18 59.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.458 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.62 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.569 ' HE2' HG12 ' A' ' 92' ' ' VAL . 0.0 OUTLIER -71.62 -36.71 70.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.936 176.597 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.95 ' HA ' ' HB2' ' A' ' 102' ' ' GLN . 41.8 mt-10 -63.39 -35.15 79.45 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.798 0.333 . . . . 0.0 111.685 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.476 ' O ' ' HD2' ' A' ' 55' ' ' ARG . 10.9 mp -79.41 -37.31 37.49 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -176.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.407 HG21 ' CE2' ' A' ' 52' ' ' TYR . 24.7 p -94.96 -33.69 12.66 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -175.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -99.62 168.2 10.09 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -79.31 54.16 1.64 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.33 0.586 . . . . 0.0 110.226 -178.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.95 ' HB2' ' HA ' ' A' ' 97' ' ' GLU . 84.0 mm-40 -97.82 102.06 13.72 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.623 0.725 . . . . 0.0 110.552 -178.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -91.75 128.01 37.42 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 114.934 -1.03 . . . . 0.0 109.266 179.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 19.2 m -66.61 142.13 57.58 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.602 0.239 . . . . 0.0 110.64 -178.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.493 ' HD3' ' N ' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -151.71 165.92 32.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.99 -176.289 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? 69.45 -83.64 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 O-C-N 124.092 0.87 . . . . 0.0 110.752 174.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 62.88 154.94 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.712 0.768 . . . . 0.0 113.007 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 5.9 m -148.53 135.51 20.05 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 176.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.414 ' O ' ' HG3' ' A' ' 109' ' ' ARG . 11.8 ptm180 -151.73 103.12 2.87 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 121.215 0.531 . . . . 0.0 112.255 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -96.64 94.13 0.08 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.938 0 C-N-CA 123.699 2.933 . . . . 0.0 111.759 171.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.3 m -93.96 82.18 4.21 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.955 0.407 . . . . 0.0 110.812 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -143.88 139.46 29.24 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.054 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -171.86 -175.84 1.6 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.666 178.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 30.8 t 69.52 89.49 0.1 Allowed 'General case' 0 CA--C 1.533 0.298 0 O-C-N 123.857 0.723 . . . . 0.0 112.808 175.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -145.24 102.98 3.8 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 172.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -177.01 141.35 0.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.225 -174.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -133.08 84.4 2.13 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.149 0.499 . . . . 0.0 110.172 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 39.0 ttm105 -96.49 127.88 42.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.732 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.6 pp -96.42 165.47 12.17 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.783 0.325 . . . . 0.0 111.018 -177.047 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.4 m -126.38 103.65 7.75 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.409 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 4.0 p -83.3 164.68 19.9 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.73 178.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -109.8 104.54 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.515 -177.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -112.49 34.48 4.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.262 0.553 . . . . 0.0 110.293 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -135.05 118.49 16.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.442 -0.799 . . . . 0.0 108.868 -178.79 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? -118.26 104.33 10.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.421 -174.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.8 t -105.76 148.21 27.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 67.8 m -151.22 119.3 6.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.224 0.535 . . . . 0.0 111.554 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 13.4 p -130.19 142.02 44.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -81.33 134.81 35.63 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.49 0.662 . . . . 0.0 111.746 -174.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -141.59 96.98 3.07 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.003 175.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.74 -66.65 0.09 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.62 -174.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -94.69 142.03 27.93 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.84 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 154.32 33.35 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.543 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.431 ' O ' ' HD2' ' A' ' 136' ' ' ARG . 4.4 mppt? -114.07 35.78 3.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.028 0.442 . . . . 0.0 110.684 177.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 3.2 p -87.91 104.01 14.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.518 0.675 . . . . 0.0 110.217 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.431 ' HD2' ' O ' ' A' ' 134' ' ' LYS . 6.2 mpt_? -94.34 104.04 16.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.515 -179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 3.9 ttt180 -155.0 77.83 4.95 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-O 120.997 0.427 . . . . 0.0 110.368 174.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -85.82 129.59 3.53 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 123.353 2.702 . . . . 0.0 111.405 176.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . 0.555 HD22 ' HB2' ' A' ' 141' ' ' LEU . 0.9 OUTLIER -77.86 90.23 4.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.325 0.584 . . . . 0.0 109.747 -179.456 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -77.91 76.83 4.43 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.194 -0.912 . . . . 0.0 108.888 177.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.555 ' HB2' HD22 ' A' ' 139' ' ' LEU . 4.9 tt -83.79 97.15 9.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.537 -170.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' A' ' 141' ' ' LEU . 24.9 tt0 176.39 144.72 0.08 Allowed 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.961 0.788 . . . . 0.0 110.016 172.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -120.98 58.66 0.95 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.862 0.839 . . . . 0.0 109.27 173.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -82.78 83.54 7.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.225 -176.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -148.46 159.67 43.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.63 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -174.83 138.51 0.48 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 173.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -93.82 144.97 24.95 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 -176.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 15.2 p80 . . . . . 0 C--O 1.248 1.01 0 CA-C-O 118.614 -0.708 . . . . 0.0 109.679 178.413 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.612 ' HA ' ' HB2' ' A' ' 12' ' ' ASP . 26.6 ttt . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.587 ' HB ' ' HB ' ' A' ' 10' ' ' ILE . 43.6 mm -87.63 96.22 5.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.538 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.3 107.02 19.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.083 0.468 . . . . 0.0 110.334 179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.437 HG22 ' N ' ' A' ' 5' ' ' SER . 27.3 mm -92.98 164.87 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.849 -0.797 . . . . 0.0 108.849 178.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.437 ' N ' HG22 ' A' ' 4' ' ' ILE . 8.0 p -65.32 158.52 26.23 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 174.453 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.433 ' HG2' ' H ' ' A' ' 7' ' ' THR . 15.1 ttm180 67.91 -164.5 0.2 Allowed 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -177.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.433 ' H ' ' HG2' ' A' ' 6' ' ' ARG . 12.4 t -83.81 26.94 0.67 Allowed 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.265 0.555 . . . . 0.0 111.785 -174.492 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.7 t -105.59 124.63 60.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 O-C-N 121.997 -0.439 . . . . 0.0 111.109 -178.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.7 m -141.67 155.04 45.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.185 176.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.587 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 58.3 mt -135.53 149.17 28.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.501 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . . . -63.43 145.66 55.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.874 0.369 . . . . 0.0 110.857 177.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.612 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 22.4 t70 -65.19 -45.64 83.99 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.86 -173.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -79.61 0.29 30.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.564 -173.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.501 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 27.5 mm-40 -81.0 -11.76 59.5 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -174.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.9 mt -74.52 157.68 35.08 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 176.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.761 ' HB2' ' HB3' ' A' ' 40' ' ' ARG . 38.9 mt-10 -87.92 97.49 10.97 Favored 'General case' 0 N--CA 1.45 -0.453 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 175.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.7 mm -90.36 125.82 43.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.056 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.525 ' O ' ' HB3' ' A' ' 38' ' ' HIS . 0.1 OUTLIER -128.42 148.67 50.72 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.054 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.51 136.32 32.99 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.242 177.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 55.5 mt -75.26 127.27 36.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.219 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.4 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 7.4 ptp180 -62.84 137.88 58.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.898 176.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 21' ' ' ARG . . . 73.27 113.55 0.06 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 124.147 0.904 . . . . 0.0 109.836 -172.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.567 ' HB2' ' O ' ' A' ' 31' ' ' ASN . 23.8 mp0 -65.68 108.33 2.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.373 -172.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 89.05 -71.66 2.35 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.283 178.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.92 154.57 40.54 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -100.26 -25.04 9.1 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.823 -0.703 . . . . 0.0 111.931 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -84.8 61.27 4.71 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.215 -179.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.581 ' HG3' ' H ' ' A' ' 29' ' ' HIS . 44.3 tp60 68.85 175.08 0.28 Allowed 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.212 0.605 . . . . 0.0 110.221 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.581 ' H ' ' HG3' ' A' ' 28' ' ' GLN . 2.0 m-70 64.15 19.56 11.82 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.64 -173.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.93 135.59 23.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.775 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.567 ' O ' ' HB2' ' A' ' 23' ' ' GLN . 23.0 t-20 -102.09 165.37 11.19 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 -178.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.553 ' HE2' ' C ' ' A' ' 31' ' ' ASN . 0.5 OUTLIER -101.89 -18.62 15.63 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.621 0.724 . . . . 0.0 109.085 171.006 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.2 m -98.82 106.02 18.23 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.769 177.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.446 ' HB2' ' CG ' ' A' ' 23' ' ' GLN . 9.3 t -110.01 146.71 34.84 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.093 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.58 32.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.328 179.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.65 141.04 30.9 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.573 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.686 HD11 HE21 ' A' ' 80' ' ' GLN . 39.8 mm -98.76 114.7 37.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.071 0 CA-C-O 121.699 0.762 . . . . 0.0 111.246 -174.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.525 ' HB3' ' O ' ' A' ' 18' ' ' THR . 54.0 t-80 -113.73 102.74 10.53 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.089 174.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.71 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.5 pt? -105.64 147.88 27.98 Favored 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.389 -178.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.761 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 30.6 ttt180 -118.24 111.68 19.11 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.289 -0.869 . . . . 0.0 109.98 -176.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.477 ' HB3' ' CG1' ' A' ' 70' ' ' ILE . 65.2 t80 -114.45 113.76 24.91 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -106.16 145.88 30.94 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.089 -174.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.709 HG13 HD13 ' A' ' 56' ' ' LEU . 1.7 mp -71.82 -44.17 68.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.994 -179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 44' ' ' ARG . 21.4 ttt180 -68.38 -18.82 64.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.999 -176.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.11 -19.88 63.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.617 174.215 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.9 t 66.06 174.7 0.23 Allowed 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 121.981 0.896 . . . . 0.0 111.904 175.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 133.51 -43.09 1.3 Allowed Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.467 -178.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.59 HD12 HD11 ' A' ' 56' ' ' LEU . 84.4 mt -76.82 154.4 83.19 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.718 0.294 . . . . 0.0 111.363 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -62.8 166.59 13.59 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 123.248 2.632 . . . . 0.0 112.419 175.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 54' ' ' GLN . 68.5 mm-40 -57.75 -52.98 63.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.932 -0.577 . . . . 0.0 112.27 -174.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -59.42 -41.81 90.4 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -175.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.648 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 98.6 m-85 -69.35 -37.6 77.72 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.761 0.315 . . . . 0.0 110.373 179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.521 ' HA ' HD12 ' A' ' 56' ' ' LEU . 34.3 ttpt -63.68 -40.84 97.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.605 176.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 50' ' ' GLU . 98.0 mt-30 -57.05 -50.14 73.66 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.756 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -59.99 -36.25 76.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.412 -0.813 . . . . 0.0 112.398 -177.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.709 HD13 HG13 ' A' ' 43' ' ' ILE . 93.9 mt -56.78 -34.65 67.84 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -174.001 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.504 HD21 HG21 ' A' ' 43' ' ' ILE . 3.2 mm? -89.68 -31.77 17.35 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.847 0.356 . . . . 0.0 111.321 -178.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.8 p -82.54 -39.06 22.88 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -174.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.434 ' HB3' HD23 ' A' ' 98' ' ' LEU . . . -81.97 112.05 18.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.308 0.575 . . . . 0.0 111.237 -174.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.5 p -80.28 70.1 6.86 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.994 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -96.93 130.1 44.29 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 30.9 m170 -71.94 71.99 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.954 0.883 . . . . 0.0 112.514 -173.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.547 HD13 HG22 ' A' ' 94' ' ' VAL . 72.7 mt -146.36 -30.97 0.37 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 113.59 -1.641 . . . . 0.0 108.909 174.06 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.581 ' HA ' HG22 ' A' ' 70' ' ' ILE . 18.2 mm -61.37 136.75 24.55 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 170.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.6 m -72.43 -59.54 2.68 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.907 -178.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -169.79 -63.56 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.761 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -72.21 -80.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.971 0.415 . . . . 0.0 111.269 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -156.83 37.34 0.57 Allowed Glycine 0 C--N 1.316 -0.532 0 C-N-CA 120.87 -0.681 . . . . 0.0 111.866 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.9 148.17 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 -175.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.581 HG22 ' HA ' ' A' ' 64' ' ' ILE . 31.0 pt -110.61 135.13 50.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.026 0.441 . . . . 0.0 110.505 174.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mp -114.97 121.82 67.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.987 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.71 ' HB ' HD21 ' A' ' 39' ' ' LEU . 3.5 mp -112.88 123.9 69.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.08 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -99.76 108.12 20.36 Favored 'General case' 0 CA--C 1.511 -0.532 0 CA-C-O 121.475 0.655 . . . . 0.0 110.395 173.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -116.46 124.7 50.62 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 114.629 -1.169 . . . . 0.0 110.065 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -157.6 104.94 2.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.223 0.535 . . . . 0.0 111.859 -176.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.694 ' HB2' HD11 ' A' ' 82' ' ' LEU . 2.8 tm-20 -87.25 -66.48 0.91 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 165.057 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -168.99 -85.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.268 169.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.46 -6.49 10.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.68 0.276 . . . . 0.0 111.695 -175.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 15.6 m -75.64 81.59 2.63 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.168 0.509 . . . . 0.0 109.867 175.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.686 HE21 HD11 ' A' ' 37' ' ' ILE . 2.7 tp60 -56.21 -32.63 64.6 Favored 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.382 -177.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.12 -54.96 38.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.208 -176.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.694 HD11 ' HB2' ' A' ' 76' ' ' GLU . 1.6 pp -69.41 -32.75 71.94 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 120.96 -0.296 . . . . 0.0 110.208 -177.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -59.47 -40.73 87.87 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.146 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.462 ' O ' HG13 ' A' ' 88' ' ' ILE . 57.1 mtm180 -75.7 -44.69 40.88 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.962 177.681 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -57.31 -45.4 84.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.657 0.265 . . . . 0.0 111.464 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.65 -36.5 84.46 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.49 179.287 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.29 -45.98 78.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.546 177.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.589 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 81.7 mt -61.23 -49.78 83.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.352 177.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.45 -40.36 78.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.878 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.65 HH11 HG23 ' A' ' 72' ' ' ILE . 42.3 ttm180 -67.01 -42.74 84.46 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.026 179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 2.9 pp -69.08 -36.95 78.17 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.356 -178.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.555 ' HA ' HD12 ' A' ' 95' ' ' ILE . 98.8 t -63.69 -38.28 81.86 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 174.262 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.548 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -62.2 -42.6 99.44 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.411 175.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 90' ' ' ARG . 69.7 t -55.47 -43.23 71.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 120.87 0.367 . . . . 0.0 110.939 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.555 HD12 ' HA ' ' A' ' 92' ' ' VAL . 60.1 mt -57.8 -36.24 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.218 177.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -79.91 -41.17 26.65 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.754 178.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 17.4 mm-40 -50.37 -42.17 52.95 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -174.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.595 HD22 HD23 ' A' ' 56' ' ' LEU . 9.1 mp -87.91 -8.49 55.7 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.946 -172.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.2 m -118.59 -48.55 2.49 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.066 0.46 . . . . 0.0 111.249 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -101.89 120.12 39.88 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.937 -178.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -66.18 103.83 1.06 Allowed 'General case' 0 N--CA 1.446 -0.654 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.628 -176.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -146.05 -53.9 0.26 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.216 174.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.416 ' HA ' ' OE1' ' A' ' 97' ' ' GLU . 48.3 mtmt 68.98 100.5 0.06 Allowed 'General case' 0 C--O 1.233 0.213 0 CA-C-O 121.708 0.766 . . . . 0.0 111.834 173.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.404 ' H ' ' CD ' ' A' ' 97' ' ' GLU . 13.1 m -123.07 95.19 4.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.732 -177.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -104.54 94.33 5.26 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.322 0.582 . . . . 0.0 110.813 178.472 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -135.01 96.88 3.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.722 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -91.06 167.4 12.4 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.569 176.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 11.5 t -132.36 128.7 38.2 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.069 0.461 . . . . 0.0 110.178 178.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 63.2 mtm180 -137.68 82.7 26.39 Favored Pre-proline 0 C--O 1.234 0.279 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.002 -177.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -82.28 150.33 15.38 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 123.086 2.524 . . . . 0.0 112.063 177.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 13.0 p -125.54 -1.93 7.42 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.178 0.513 . . . . 0.0 111.226 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -87.42 56.68 4.06 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.175 -177.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -147.39 97.73 2.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.572 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.5 t -158.29 142.27 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 174.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.7 ttmp? -135.19 143.44 46.44 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -104.4 119.35 38.77 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.825 0.345 . . . . 0.0 111.393 -176.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 33.1 mtp85 -148.48 118.53 7.21 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.814 174.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -159.44 133.3 7.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.948 176.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.0 pp -164.04 142.37 7.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.573 179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 18.6 t 179.77 123.94 0.07 Allowed 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.236 178.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 19.3 p -161.23 118.62 2.3 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.558 0.218 . . . . 0.0 111.327 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -177.37 107.68 0.06 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.752 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -119.62 154.04 34.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.812 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 46.5 tp60 -163.92 116.87 1.43 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.98 0.419 . . . . 0.0 110.56 179.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -128.82 146.56 50.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.143 177.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 62.5 m -154.88 93.1 1.52 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.074 176.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 45.2 m -142.57 136.97 29.76 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.648 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 4.2 p -134.19 108.75 11.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.41 0.624 . . . . 0.0 109.952 175.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -130.7 133.3 45.95 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.023 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -144.74 95.63 2.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.622 176.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -103.93 98.93 8.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.276 -175.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -106.99 128.06 54.01 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.497 175.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -165.49 109.78 0.38 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.884 -0.674 . . . . 0.0 111.812 178.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.43 149.6 22.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.94 0.4 . . . . 0.0 110.241 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 60.4 t -95.29 131.67 41.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.371 -176.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 -121.41 141.13 51.28 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 173.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -153.53 102.64 2.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 C-N-CA 120.419 -0.512 . . . . 0.0 111.865 -172.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -95.9 165.65 1.34 Allowed 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 123.419 2.746 . . . . 0.0 111.886 172.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 57.1 tp -156.21 127.38 7.02 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 122.335 -0.228 . . . . 0.0 111.242 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -160.13 137.25 9.35 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 175.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . 0.662 HD23 ' H ' ' A' ' 141' ' ' LEU . 2.5 pt? -119.64 172.6 7.56 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.676 0.274 . . . . 0.0 110.678 -176.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -114.68 144.35 43.58 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.876 0.37 . . . . 0.0 110.504 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -171.03 128.42 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.878 0.371 . . . . 0.0 110.576 177.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -154.73 156.76 36.94 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 173.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -81.24 120.79 25.34 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 30.3 p-80 -66.23 142.94 57.53 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -83.89 -45.56 13.08 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.605 -0.712 . . . . 0.0 109.253 176.311 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.519 ' HA ' ' HB2' ' A' ' 12' ' ' ASP . 23.7 ttt . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.729 HD11 HD11 ' A' ' 15' ' ' LEU . 48.3 mm -99.95 115.79 41.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.6 0.238 . . . . 0.0 110.793 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.46 121.73 45.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.55 177.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.455 HG22 ' N ' ' A' ' 5' ' ' SER . 28.0 mm -107.02 165.38 4.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.536 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 1.3 p -59.77 151.23 25.87 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 110.083 -0.34 . . . . 0.0 110.083 174.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.536 ' HB2' ' O ' ' A' ' 5' ' ' SER . 12.2 mpt_? 70.73 -172.84 0.17 Allowed 'General case' 0 N--CA 1.47 0.533 0 O-C-N 123.647 0.592 . . . . 0.0 109.727 -168.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.9 t -86.89 47.94 1.57 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.911 0.862 . . . . 0.0 110.403 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.7 t -111.96 113.15 43.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.562 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.6 m -123.51 153.92 39.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.021 0.438 . . . . 0.0 110.409 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.588 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 72.0 mt -131.47 137.81 54.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.527 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -61.47 148.79 40.72 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.259 0.552 . . . . 0.0 111.527 -175.681 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.519 ' HB2' ' HA ' ' A' ' 1' ' ' MET . 28.5 t70 -68.28 -29.77 68.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.357 -177.227 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -83.49 -13.31 54.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.022 -179.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.527 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 21.4 mt-10 -73.97 -8.84 57.62 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-O 120.711 0.291 . . . . 0.0 111.42 -179.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.729 HD11 HD11 ' A' ' 2' ' ' ILE . 98.4 mt -78.0 129.23 35.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.717 178.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -89.23 109.63 20.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.4 0.619 . . . . 0.0 110.382 176.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.4 mm -102.01 123.29 55.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 114.794 -1.094 . . . . 0.0 109.531 -178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.85 149.85 34.44 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.77 140.73 29.21 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.952 0.406 . . . . 0.0 110.504 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.467 HD11 ' HB2' ' A' ' 38' ' ' HIS . 39.7 mm -74.46 127.59 36.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.918 177.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -144.83 103.5 3.91 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.22 -58.72 3.67 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.845 -0.616 . . . . 0.0 112.254 -168.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -155.61 175.48 13.85 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.02 0.438 . . . . 0.0 111.63 -173.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.91 126.86 9.06 Favored Glycine 0 N--CA 1.446 -0.695 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 173.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.512 ' HB3' ' HA ' ' A' ' 28' ' ' GLN . . . -97.48 160.33 14.39 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.713 0.257 . . . . 0.0 110.94 -174.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -72.64 -46.88 29.41 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.954 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -127.52 26.77 4.84 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 111.076 -0.809 . . . . 0.0 111.076 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.512 ' HA ' ' HB3' ' A' ' 25' ' ' ALA . 26.9 mt-30 64.89 -178.93 0.18 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.18 0.592 . . . . 0.0 111.432 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 44.62 93.67 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.299 1.04 . . . . 0.0 113.592 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -129.73 -56.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.777 175.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -111.61 171.15 7.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.861 -1.063 . . . . 0.0 108.485 171.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -64.31 157.03 27.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.55 0.214 . . . . 0.0 111.226 -177.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 7.1 t -64.5 108.14 1.57 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.968 0.89 . . . . 0.0 110.326 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.4 p -77.26 88.58 3.69 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.141 -176.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 m -106.0 25.58 10.76 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.612 -179.164 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.35 174.38 10.28 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.613 -178.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.579 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 49.5 mm -101.18 117.7 46.83 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.025 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.915 -175.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.467 ' HB2' HD11 ' A' ' 20' ' ' ILE . 14.5 t-80 -114.56 105.57 13.24 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.138 0.494 . . . . 0.0 109.771 174.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.587 HD23 ' H ' ' A' ' 39' ' ' LEU . 2.0 pt? -106.15 150.06 26.2 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.397 -177.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -124.62 107.64 11.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.469 0.652 . . . . 0.0 110.041 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -97.62 104.44 16.46 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.895 -177.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.44 ' HA ' ' HA ' ' A' ' 69' ' ' VAL . 28.3 t0 -105.18 126.84 52.53 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -177.257 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.701 HG21 ' HG3' ' A' ' 53' ' ' LYS . 56.9 mt -56.54 -43.31 77.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.436 177.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -65.32 -14.66 61.29 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.014 -174.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.24 -14.62 58.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 0.0 111.7 -177.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 t -135.84 -170.01 2.53 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 -178.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -123.61 69.98 0.45 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.915 -0.659 . . . . 0.0 111.95 -179.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.4 mt -75.23 153.85 86.24 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.409 ' HB2' ' HD1' ' A' ' 52' ' ' TYR . 50.8 Cg_exo -55.43 141.98 81.18 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.499 2.132 . . . . 0.0 112.117 178.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.592 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 6.9 tp10 -52.55 -41.19 63.31 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.737 -174.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -54.18 -44.68 71.75 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.551 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.409 ' HD1' ' HB2' ' A' ' 49' ' ' PRO . 62.0 m-85 -66.49 -42.4 87.5 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.082 -177.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.701 ' HG3' HG21 ' A' ' 43' ' ' ILE . 27.0 ttpt -62.54 -38.02 88.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.342 -178.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.592 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 33.4 mm-40 -55.84 -49.96 71.87 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.784 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 55' ' ' ARG . 23.8 mmt180 -67.32 -39.51 85.88 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.38 -28.4 67.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.606 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.2 mt -82.72 -29.32 29.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.62 0.248 . . . . 0.0 111.651 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 17.6 p -84.96 -43.29 14.15 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.13 122.62 16.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.128 0.49 . . . . 0.0 111.59 -177.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.2 m -89.32 52.83 2.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.64 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -84.5 126.85 33.66 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -54.57 -27.95 42.58 Favored 'General case' 0 CA--C 1.537 0.472 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -173.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 71.4 mt -57.74 -26.01 61.22 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 176.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.496 HD13 HG12 ' A' ' 70' ' ' ILE . 42.3 mm -73.46 129.59 36.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 175.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.755 ' HB3' HG13 ' A' ' 69' ' ' VAL . 32.4 t -84.87 -51.04 7.03 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -170.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -149.76 -83.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.701 -0.4 . . . . 0.0 111.389 -175.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.84 -84.88 0.11 Allowed 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 121.331 0.586 . . . . 0.0 110.396 177.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.457 ' O ' HG13 ' A' ' 43' ' ' ILE . . . -137.32 36.22 1.98 Allowed Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.119 -0.946 . . . . 0.0 111.521 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.755 HG13 ' HB3' ' A' ' 65' ' ' SER . 7.1 p -111.08 141.95 24.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 178.357 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.496 HG12 HD13 ' A' ' 64' ' ' ILE . 52.3 mt -109.79 124.05 66.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.845 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.524 HD13 ' HB2' ' A' ' 65' ' ' SER . 1.4 mp -103.2 115.39 45.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.584 0.707 . . . . 0.0 110.195 179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.412 ' HB ' HD21 ' A' ' 39' ' ' LEU . 44.6 mm -122.23 128.12 75.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.051 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -98.16 122.7 41.63 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.323 0.582 . . . . 0.0 110.526 171.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.579 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -106.05 122.18 45.64 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 115.108 -0.951 . . . . 0.0 109.559 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -156.48 104.0 2.17 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.597 -177.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -93.1 -67.52 0.85 Allowed 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 173.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 73.6 t80 175.93 -36.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.003 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -152.66 166.94 30.54 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.245 -177.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.427 ' HB2' HD23 ' A' ' 82' ' ' LEU . 50.3 m 60.47 88.95 0.07 Allowed 'General case' 0 C--O 1.233 0.232 0 O-C-N 124.031 0.832 . . . . 0.0 112.008 176.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.501 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 0.8 OUTLIER -60.39 -28.71 68.45 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.863 -178.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.8 tp10 -50.79 -53.85 28.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.282 176.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.427 HD23 ' HB2' ' A' ' 79' ' ' SER . 2.5 pp -73.64 -27.83 61.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.067 0.461 . . . . 0.0 110.182 -176.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.462 ' OD1' ' HA ' ' A' ' 80' ' ' GLN . 10.8 m120 -60.49 -39.44 87.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.16 177.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 38.3 mtm180 -64.41 -49.61 70.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.354 178.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -54.74 -43.93 73.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.221 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 90' ' ' ARG . . . -63.64 -44.12 94.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.129 178.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . . . -59.86 -44.84 93.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.349 178.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.429 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 88.4 mt -60.15 -51.11 76.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.533 177.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.57 -39.11 75.99 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.391 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 86' ' ' ALA . 17.7 mmm-85 -67.78 -48.73 65.52 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.705 178.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.443 ' O ' HG13 ' A' ' 95' ' ' ILE . 3.0 pp -66.57 -39.84 88.67 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.938 -0.305 . . . . 0.0 111.094 -175.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 96.3 t -64.69 -38.17 81.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.906 0.384 . . . . 0.0 110.099 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.644 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -61.81 -43.76 98.2 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.579 177.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 90' ' ' ARG . 90.1 t -59.06 -42.28 85.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.851 0.358 . . . . 0.0 110.59 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 91' ' ' LEU . 79.5 mt -58.09 -41.65 81.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.263 176.426 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -73.27 -24.67 60.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.622 -179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.644 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 32.7 mm-40 -66.23 -43.15 87.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.111 0.481 . . . . 0.0 109.725 176.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.3 mp -75.84 -30.22 58.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.616 -178.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 40.3 p -105.33 25.8 10.21 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.104 0.478 . . . . 0.0 111.331 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.45 ' HB1' HE21 ' A' ' 102' ' ' GLN . . . -74.37 111.58 9.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.615 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -80.34 89.75 5.55 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.312 179.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.45 HE21 ' HB1' ' A' ' 100' ' ' ALA . 49.4 mt-30 -138.91 163.83 31.27 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.256 -0.883 . . . . 0.0 109.273 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -128.05 113.11 15.37 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.271 0.558 . . . . 0.0 111.088 179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 3.0 p -81.43 -17.36 49.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.021 176.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -131.33 151.48 51.47 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.055 -0.975 . . . . 0.0 108.983 176.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 36.8 ptt180 -70.51 103.93 2.62 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.625 0.726 . . . . 0.0 110.917 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -108.12 15.42 24.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.1 -176.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 9.7 t 42.95 80.42 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 O-C-N 124.37 1.044 . . . . 0.0 112.54 179.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 10.2 mmt180 -130.78 102.76 16.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.56 -177.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 4.9 Cg_endo -87.38 33.59 0.42 Allowed 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 123.532 2.821 . . . . 0.0 112.726 -178.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.7 p -87.79 130.85 34.72 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.456 -178.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -141.37 -61.45 0.47 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.067 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 64.24 97.3 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.991 0.807 . . . . 0.0 112.589 178.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.3 t -112.33 125.21 53.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.553 175.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 38.5 tptt -106.49 130.46 54.28 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 -178.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -145.65 119.55 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.438 -179.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.4 ptt180 -161.98 134.64 5.91 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.062 173.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -141.51 158.42 43.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.068 177.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' A' ' 119' ' ' LEU . 1.7 pt? -156.78 93.99 1.41 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.552 0.691 . . . . 0.0 110.526 178.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 37.6 m -81.39 79.37 8.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.131 176.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.4 p -109.19 131.37 55.13 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.87 -178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -174.99 121.91 0.22 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -143.16 95.21 2.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.949 0.404 . . . . 0.0 111.552 -177.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 26.7 tt0 -170.36 88.91 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.572 173.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -136.56 90.5 2.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.554 179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 62.1 m -93.58 103.46 15.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.806 176.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 24.7 t -99.07 111.36 23.77 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.237 -179.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 35.9 m -77.85 157.08 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.146 177.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -133.95 122.17 22.7 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.549 -177.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -95.24 139.89 30.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.437 -179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.5 mp -89.65 107.79 19.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.226 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 132' ' ' ARG . 49.3 mtt180 -87.1 94.62 9.69 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.211 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 175.74 133.76 1.81 Allowed Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.696 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -120.03 173.14 7.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.13 0.491 . . . . 0.0 110.987 -179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 27.3 m -101.35 -170.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.371 175.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.545 ' HD2' ' H ' ' A' ' 136' ' ' ARG . 0.0 OUTLIER -112.11 -177.56 3.2 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 179.658 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -87.09 106.15 10.22 Favored Pre-proline 0 C--N 1.326 -0.416 0 C-N-CA 120.736 -0.386 . . . . 0.0 109.98 177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.495 ' HD3' ' O ' ' A' ' 136' ' ' ARG . 72.1 Cg_endo -77.21 123.11 6.46 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.502 2.135 . . . . 0.0 112.346 -175.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 91.1 mt -88.15 74.86 8.74 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.22 0.533 . . . . 0.0 109.989 177.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -99.37 109.26 21.88 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.6 -179.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 58.5 tp -82.74 123.22 29.1 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.834 -172.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -85.69 123.59 31.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.293 172.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -109.04 137.28 47.19 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.481 -178.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -74.17 145.1 44.49 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.647 -178.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -166.52 132.34 2.34 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.778 177.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -150.51 109.03 3.8 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 13.0 t-160 -161.23 135.66 7.14 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.476 -177.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 39.9 p-80 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 119.08 -0.486 . . . . 0.0 109.993 175.766 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.461 ' SD ' ' HA ' ' A' ' 11' ' ' ALA . 14.0 tpt . . . . . 0 N--CA 1.482 1.125 0 N-CA-C 110.046 -0.353 . . . . 0.0 110.046 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.9 mp -106.63 109.67 28.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.0 0.429 . . . . 0.0 109.997 -178.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.33 108.61 20.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.794 -179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.693 ' HB ' HG13 ' A' ' 8' ' ' VAL . 35.8 mm -93.98 160.64 2.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -178.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.492 ' O ' ' HB2' ' A' ' 6' ' ' ARG . 14.2 m -62.96 155.53 27.11 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 176.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.492 ' HB2' ' O ' ' A' ' 5' ' ' SER . 37.1 mmt180 73.02 -164.49 0.11 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.481 0.488 . . . . 0.0 110.61 -175.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.2 t -89.68 37.25 0.87 Allowed 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -173.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.693 HG13 ' HB ' ' A' ' 4' ' ' ILE . 8.6 p -122.59 129.49 75.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.509 0.671 . . . . 0.0 111.563 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.2 m -128.61 149.26 50.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.539 176.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.418 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 68.5 mt -124.92 128.79 73.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 120.836 0.351 . . . . 0.0 110.561 -178.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.461 ' HA ' ' SD ' ' A' ' 1' ' ' MET . . . -66.64 151.28 47.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.56 -178.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -70.34 -34.67 72.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.255 -172.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -87.49 3.1 48.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.08 0.467 . . . . 0.0 111.347 -174.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.449 ' HG2' ' HB3' ' A' ' 11' ' ' ALA . 5.5 mm-40 -90.32 -19.55 23.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -175.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.4 mt -85.5 163.26 18.53 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.052 0.453 . . . . 0.0 111.106 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -89.15 98.05 11.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.916 175.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 44.1 mm -101.84 112.55 35.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.126 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -116.37 150.37 37.85 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.462 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.22 114.76 27.32 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 173.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.564 HD12 ' HB3' ' A' ' 36' ' ' ALA . 46.8 mt -55.47 118.26 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.217 0.532 . . . . 0.0 110.591 -176.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -119.36 -62.67 1.48 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.878 -176.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 59.88 -170.63 0.14 Allowed 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.734 0.646 . . . . 0.0 111.34 179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -96.33 70.84 2.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.385 0.612 . . . . 0.0 109.589 176.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.32 51.23 3.67 Favored Glycine 0 N--CA 1.451 -0.306 0 CA-C-N 115.648 -0.706 . . . . 0.0 112.295 -178.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.28 149.32 34.03 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.542 0.21 . . . . 0.0 110.502 -179.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 111.2 149.9 11.7 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.616 -0.802 . . . . 0.0 112.262 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -83.75 67.79 3.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 121.017 -0.611 . . . . 0.0 112.08 -179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.481 ' HG2' ' H ' ' A' ' 29' ' ' HIS . 45.0 tt0 -114.84 176.22 5.15 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -178.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.481 ' H ' ' HG2' ' A' ' 28' ' ' GLN . 56.2 t60 -104.97 23.25 13.87 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.573 0.702 . . . . 0.0 110.551 -173.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.5 t -57.18 -67.46 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.194 175.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 62.5 174.09 0.14 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.956 175.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 65.76 176.38 0.22 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.807 175.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 2.3 m 57.93 26.82 13.83 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.597 0.713 . . . . 0.0 110.745 177.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.4 m -94.62 103.03 14.97 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.282 -177.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.478 ' HB2' ' HB3' ' A' ' 113' ' ' ALA . 42.1 m 68.57 86.48 0.13 Allowed 'General case' 0 C--O 1.232 0.164 0 O-C-N 123.977 0.798 . . . . 0.0 110.656 -176.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.564 ' HB3' HD12 ' A' ' 20' ' ' ILE . . . -136.46 179.36 6.41 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.674 179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.608 HD11 ' HB3' ' A' ' 80' ' ' GLN . 45.4 mm -100.21 119.72 48.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.57 0.7 . . . . 0.0 111.515 -176.081 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.503 ' HB2' HG12 ' A' ' 20' ' ' ILE . 22.0 t-80 -109.97 114.69 28.44 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.961 -1.018 . . . . 0.0 109.895 175.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.459 HD21 ' HB1' ' A' ' 87' ' ' ALA . 2.1 pt? -128.44 144.82 51.2 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 175.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.3 ptm180 -121.19 121.06 36.97 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.327 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.51 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 4.3 t80 -96.66 101.45 13.06 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.424 ' HA ' HG23 ' A' ' 69' ' ' VAL . 24.2 t70 -101.6 142.0 33.61 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.141 -168.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.559 HG21 ' HE3' ' A' ' 53' ' ' LYS . 1.8 mp -78.83 -42.83 24.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.136 -0.938 . . . . 0.0 110.853 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.2 ttm-85 -63.45 -31.75 73.0 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.697 0.284 . . . . 0.0 110.99 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.31 -22.83 54.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.831 173.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 57.0 p 62.24 154.16 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 125.268 1.427 . . . . 0.0 113.508 176.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.28 -38.41 0.96 Allowed Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.673 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.466 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 90.7 mt -75.57 144.42 77.29 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.44 -0.38 . . . . 0.0 110.512 177.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 23.9 Cg_exo -65.15 158.01 54.38 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.856 2.371 . . . . 0.0 111.788 176.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -55.34 -36.69 66.55 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.223 -176.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 4.1 m-30 -59.07 -53.0 63.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.429 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 85.7 m-85 -68.07 -35.37 78.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.852 -178.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.559 ' HE3' HG21 ' A' ' 43' ' ' ILE . 1.2 tmtp? -58.24 -50.51 73.32 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.931 178.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -63.35 -41.67 98.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.137 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 55' ' ' ARG . 10.9 mmt180 -58.74 -44.38 90.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.901 179.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.606 HD23 HD22 ' A' ' 98' ' ' LEU . 96.0 mt -63.38 -35.32 80.03 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.01 0.433 . . . . 0.0 111.29 -177.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -80.98 -14.73 57.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.298 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 62.6 m -92.79 -52.08 4.78 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.754 0.311 . . . . 0.0 111.428 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.44 117.03 17.69 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.89 0.376 . . . . 0.0 111.335 -176.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.8 t -77.55 75.08 4.1 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.419 0.628 . . . . 0.0 110.134 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -93.39 128.81 39.61 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 177.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -73.75 21.3 0.09 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.911 0.708 . . . . 0.0 112.911 -169.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.1 mt -97.92 -13.05 21.41 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.304 0.573 . . . . 0.0 109.78 172.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.409 ' CD1' HG12 ' A' ' 70' ' ' ILE . 39.1 mm -78.02 130.32 36.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 173.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.9 p -82.32 -83.55 0.13 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 120.866 0.365 . . . . 0.0 111.659 -174.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -146.56 -47.04 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.202 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.434 ' HB2' HG12 ' A' ' 69' ' ' VAL . 5.6 m-20 -74.88 15.98 0.34 Allowed 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.226 0.454 . . . . 0.0 112.226 -177.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.448 ' O ' HD13 ' A' ' 43' ' ' ILE . . . 71.52 19.63 77.88 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.613 -0.803 . . . . 0.0 111.431 -175.296 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.434 HG12 ' HB2' ' A' ' 67' ' ' ASP . 2.7 p -106.0 143.87 16.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -178.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.51 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 22.8 mt -86.58 117.14 30.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.147 -178.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 1.7 mp -103.79 119.38 52.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-O 121.278 0.561 . . . . 0.0 110.11 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 4.9 mp -108.3 116.76 52.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.701 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.3 mttt -94.25 104.17 16.17 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.441 0.638 . . . . 0.0 109.597 173.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.575 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -102.29 123.16 45.62 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.829 -174.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.428 ' HB3' ' HB1' ' A' ' 36' ' ' ALA . 8.6 pt20 -164.13 104.84 0.88 Allowed 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.136 179.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.632 ' HG3' ' HB2' ' A' ' 109' ' ' ARG . 28.8 tt0 -121.07 -79.23 0.6 Allowed 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.692 -0.403 . . . . 0.0 110.754 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -161.57 105.25 1.25 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.469 -0.492 . . . . 0.0 111.545 179.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 69.66 151.44 0.09 Allowed 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 172.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.558 ' HB3' HD23 ' A' ' 82' ' ' LEU . 45.1 t 65.71 111.03 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.22 -0.9 . . . . 0.0 113.14 172.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.608 ' HB3' HD11 ' A' ' 37' ' ' ILE . 0.3 OUTLIER -58.34 -34.93 71.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.718 172.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -60.57 -54.95 39.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.402 -178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.558 HD23 ' HB3' ' A' ' 79' ' ' SER . 0.9 OUTLIER -71.1 -31.97 68.46 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.399 -176.128 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -66.92 -32.75 74.22 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 110.197 -0.297 . . . . 0.0 110.197 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -64.49 -51.48 62.78 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.228 0.537 . . . . 0.0 109.891 175.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -58.92 -38.55 79.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.688 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.642 ' O ' ' HD3' ' A' ' 90' ' ' ARG . . . -64.17 -40.84 96.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.487 175.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.509 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . . . -60.26 -40.9 91.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.569 175.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.516 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 84.2 mt -60.31 -50.22 81.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.755 175.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -56.98 -39.54 74.85 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 177.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.642 ' HD3' ' O ' ' A' ' 86' ' ' ALA . 10.5 mpt_? -60.29 -53.78 53.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.269 176.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 4.0 pp -68.21 -36.72 79.96 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.549 0.214 . . . . 0.0 111.382 -174.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 88' ' ' ILE . 54.3 t -59.98 -41.42 86.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.583 177.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.56 -43.92 88.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.772 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 90' ' ' ARG . 98.8 t -61.69 -41.57 90.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.119 179.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 91' ' ' LEU . 88.3 mt -58.48 -39.84 76.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.31 0.576 . . . . 0.0 110.39 176.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.583 ' HB3' ' HD2' ' A' ' 103' ' ' LYS . 0.0 OUTLIER -72.61 -19.41 61.47 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 115.769 -0.65 . . . . 0.0 112.374 177.399 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.547 ' HG2' ' H ' ' A' ' 103' ' ' LYS . 41.7 mt-10 -65.7 -32.44 74.0 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.148 0.499 . . . . 0.0 110.617 175.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.606 HD22 HD23 ' A' ' 56' ' ' LEU . 10.3 mp -89.85 -8.32 52.27 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.725 -176.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.45 ' OG1' ' HA ' ' A' ' 96' ' ' LYS . 2.7 p -114.75 -53.96 2.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.991 0.425 . . . . 0.0 110.998 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -94.36 169.58 10.12 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 175.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -74.58 84.12 2.05 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -177.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 45.33 111.37 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 169.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.583 ' HD2' ' HB3' ' A' ' 96' ' ' LYS . 64.5 mttm -124.02 121.07 34.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.506 176.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 13.2 p -152.71 150.99 30.01 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -126.03 148.14 49.38 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 174.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.13 49.52 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 111.004 -175.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.51 124.94 34.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.171 176.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 20.6 m -124.6 110.39 14.37 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.086 0.469 . . . . 0.0 112.163 -175.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.632 ' HB2' ' HG3' ' A' ' 76' ' ' GLU . 6.0 mpt_? -125.74 123.75 24.8 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.836 173.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 109' ' ' ARG . 11.3 Cg_endo -89.51 105.82 0.39 Allowed 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.859 2.373 . . . . 0.0 112.017 176.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.54 ' HB ' ' O ' ' A' ' 76' ' ' GLU . 14.1 t -97.91 158.36 15.57 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.03 0.443 . . . . 0.0 110.564 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.21 144.56 23.19 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 174.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.478 ' HB3' ' HB2' ' A' ' 35' ' ' SER . . . -128.17 99.05 5.31 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.051 0.453 . . . . 0.0 110.906 178.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 14.6 m -104.9 104.5 14.28 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 176.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.437 ' O ' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -128.43 153.38 47.16 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 121.001 0.429 . . . . 0.0 111.386 -177.311 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -129.7 29.46 5.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.449 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -70.27 120.84 16.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.562 0.696 . . . . 0.0 111.6 -173.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -157.03 122.33 4.62 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.404 176.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 53.1 tp -134.48 124.01 24.9 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.279 -175.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.2 t -155.28 94.53 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.874 174.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 47.8 t -171.05 104.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.478 -175.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -131.74 132.34 43.77 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.242 -0.435 . . . . 0.0 109.939 176.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -148.2 137.81 22.28 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.762 0.315 . . . . 0.0 110.867 179.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -136.74 124.75 22.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.141 178.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 53.7 pttt -128.49 128.68 44.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.712 177.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 21.3 m -140.06 -165.07 1.82 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.429 -173.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 18.6 m 69.93 97.04 0.06 Allowed 'General case' 0 C--O 1.231 0.081 0 O-C-N 124.036 0.835 . . . . 0.0 111.499 177.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.2 p -147.57 133.76 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.638 176.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -145.54 122.97 11.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.239 0.542 . . . . 0.0 111.439 -178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -167.63 97.2 0.47 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.019 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 3.1 pp -124.51 163.13 22.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.817 -177.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -172.16 168.95 5.63 Favored 'General case' 0 C--N 1.331 -0.235 0 O-C-N 123.234 0.334 . . . . 0.0 110.229 178.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -147.59 155.51 26.52 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -151.43 125.02 8.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.001 0.429 . . . . 0.0 111.301 -178.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 3.0 m -144.24 137.14 23.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.44 175.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 22.6 ttt180 -162.36 137.02 6.78 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -113.07 103.89 55.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 120.882 0.372 . . . . 0.0 111.327 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_endo -89.81 179.9 2.0 Allowed 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 123.64 2.893 . . . . 0.0 110.869 171.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 57.1 tp -161.77 117.97 2.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.056 0.455 . . . . 0.0 111.329 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -112.67 130.48 56.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.625 176.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 4.7 tt -166.6 101.67 0.59 Allowed 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -148.93 113.63 5.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.963 178.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 79.1 m-70 -137.82 88.67 2.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.179 0.514 . . . . 0.0 110.948 176.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 23.5 m80 -113.98 115.87 28.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.43 174.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.423 ' CE1' ' HB2' ' A' ' 147' ' ' HIS . 48.9 t-80 -131.88 131.62 42.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.904 -173.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -134.37 96.84 3.68 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.966 176.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . 0.423 ' HB2' ' CE1' ' A' ' 145' ' ' HIS . 83.3 t60 -83.81 88.22 7.1 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.819 0.343 . . . . 0.0 110.139 178.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 . . . . . 0 C--O 1.247 0.947 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.82 -178.33 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.475 ' SD ' ' HA ' ' A' ' 11' ' ' ALA . 14.2 tpt . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.437 HD12 ' N ' ' A' ' 2' ' ' ILE . 3.9 mp -112.34 106.55 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.028 0.442 . . . . 0.0 110.431 -178.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.434 ' HA ' ' HA ' ' A' ' 9' ' ' SER . . . -94.14 119.54 33.12 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.231 176.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.462 HG23 HD13 ' A' ' 95' ' ' ILE . 17.3 mm -83.67 165.67 2.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 178.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.408 ' N ' HG22 ' A' ' 4' ' ' ILE . 2.6 p -61.21 152.25 29.34 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.769 0.319 . . . . 0.0 111.011 178.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.491 ' O ' HG22 ' A' ' 7' ' ' THR . 68.9 mtt180 71.23 34.85 1.69 Allowed 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.883 -178.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 6' ' ' ARG . 3.3 t 56.56 20.83 5.19 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.65 1.18 . . . . 0.0 113.241 172.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.3 t -92.37 104.47 15.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 173.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 3' ' ' ALA . 14.2 m -100.15 154.78 18.16 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.236 0.541 . . . . 0.0 112.003 -174.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.401 HD11 HD21 ' A' ' 48' ' ' LEU . 64.1 mt -130.29 124.11 57.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.324 176.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.475 ' HA ' ' SD ' ' A' ' 1' ' ' MET . . . -77.31 153.69 33.59 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.04 -177.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -62.98 -22.39 66.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.358 0.599 . . . . 0.0 110.24 179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -66.63 -28.17 68.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.865 -179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -83.83 -16.85 43.02 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.301 -175.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.416 HD11 HD13 ' A' ' 2' ' ' ILE . 88.6 mt -85.51 150.81 24.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.208 -177.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.932 ' HB2' ' HB3' ' A' ' 40' ' ' ARG . 40.1 mt-10 -88.12 101.16 13.53 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 175.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.3 mm -100.12 130.93 48.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.99 -173.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.51 146.55 36.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.06 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.35 133.38 35.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.69 173.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.584 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 51.5 mt -73.12 118.96 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.084 0.468 . . . . 0.0 110.364 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.401 ' HD2' ' HA ' ' A' ' 21' ' ' ARG . 7.8 tpt180 -93.45 31.47 1.52 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.966 -177.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.583 ' H ' HG22 ' A' ' 20' ' ' ILE . . . -146.11 -171.59 3.75 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.469 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -79.48 6.15 11.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.904 0.383 . . . . 0.0 110.695 -179.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.593 ' HA3' ' OE1' ' A' ' 75' ' ' GLN . . . 77.95 -87.16 1.07 Allowed Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.964 174.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -150.75 159.3 44.62 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.686 0.279 . . . . 0.0 110.66 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -102.86 -175.63 26.81 Favored Glycine 0 N--CA 1.444 -0.81 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.539 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 158.51 -55.72 0.36 Allowed Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 110.578 -1.009 . . . . 0.0 110.578 -177.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -123.38 -174.86 3.05 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 171.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.44 ' HD2' ' OD1' ' A' ' 31' ' ' ASN . 19.9 p-80 -60.97 126.83 28.81 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 175.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 t -98.36 125.22 51.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.271 0.558 . . . . 0.0 111.374 -172.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.44 ' OD1' ' HD2' ' A' ' 29' ' ' HIS . 23.5 m120 -134.8 13.96 3.66 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.753 176.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -83.23 150.2 26.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.064 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.7 t -85.63 170.66 12.33 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 177.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.18 44.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -176.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.447 ' HB2' ' HG2' ' A' ' 78' ' ' ARG . 61.8 m -103.7 70.26 1.01 Allowed 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 173.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.584 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -121.74 157.82 30.13 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.801 -175.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 47.6 mm -100.36 132.24 46.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.288 -177.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 42.5 t-80 -132.51 104.42 6.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.438 175.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.676 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.3 pt? -116.85 144.33 44.63 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.045 0.45 . . . . 0.0 110.484 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.932 ' HB3' ' HB2' ' A' ' 16' ' ' GLU . 10.1 ttt180 -112.58 108.21 17.21 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.813 179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -96.63 103.86 15.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.417 -0.811 . . . . 0.0 109.879 -176.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -103.93 146.5 28.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.91 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.792 HG12 HD13 ' A' ' 56' ' ' LEU . 1.4 mp -85.67 -42.07 15.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.371 -177.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.9 ttp180 -61.46 -23.18 65.69 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.609 -174.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.74 -26.21 68.54 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.622 176.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.5 t -130.12 -166.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -132.45 78.51 0.36 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.953 -0.641 . . . . 0.0 111.925 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.401 HD21 HD11 ' A' ' 10' ' ' ILE . 75.2 mt -75.69 155.72 85.1 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 120.529 0.204 . . . . 0.0 110.842 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.409 ' HB2' ' HD2' ' A' ' 52' ' ' TYR . 50.5 Cg_exo -53.37 149.82 28.43 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.976 2.451 . . . . 0.0 112.613 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -60.04 -37.14 78.93 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -170.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -64.06 -46.26 85.11 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.543 0.211 . . . . 0.0 111.238 -177.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.595 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 89.3 m-85 -64.69 -45.4 86.78 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.93 0.395 . . . . 0.0 109.938 175.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -52.96 -48.11 67.63 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.941 -178.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -72.75 -42.22 64.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.646 0.26 . . . . 0.0 111.255 -176.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 13.1 mmt85 -62.29 -33.9 75.54 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.792 HD13 HG12 ' A' ' 43' ' ' ILE . 91.8 mt -57.53 -42.02 82.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.923 0.392 . . . . 0.0 111.705 -179.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -91.02 -14.47 31.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.549 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.4 m -93.72 -42.57 9.08 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.78 0.324 . . . . 0.0 111.617 -177.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -86.93 97.57 10.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.465 -178.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.5 m -68.21 100.56 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.288 0.566 . . . . 0.0 111.553 -174.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 21.7 m80 -108.15 140.26 41.61 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.19 174.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -86.25 11.02 13.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.863 0.84 . . . . 0.0 110.074 -174.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.421 ' HG ' ' HB3' ' A' ' 106' ' ' ARG . 5.5 mp -86.28 -6.75 58.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 114.302 -1.317 . . . . 0.0 108.993 170.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.469 HD13 HG13 ' A' ' 70' ' ' ILE . 48.0 mm -82.65 136.0 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.54 175.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.521 ' CB ' HD13 ' A' ' 71' ' ' ILE . 29.6 t -80.48 -84.46 0.1 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.546 -176.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -121.84 -86.58 0.65 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -170.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -87.92 49.0 1.72 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.579 0.704 . . . . 0.0 110.793 -173.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.65 29.53 63.37 Favored Glycine 0 C--O 1.226 -0.352 0 CA-C-N 115.492 -0.776 . . . . 0.0 112.643 177.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.454 HG11 ' NH1' ' A' ' 40' ' ' ARG . 7.7 p -112.7 144.87 19.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 120.482 0.182 . . . . 0.0 110.565 -177.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.469 HG13 HD13 ' A' ' 64' ' ' ILE . 4.3 mp -98.53 124.75 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.583 -176.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.621 HG21 ' HG2' ' A' ' 110' ' ' PRO . 2.3 mp -121.23 123.76 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.89 0.376 . . . . 0.0 110.061 175.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.676 ' HB ' HD21 ' A' ' 39' ' ' LEU . 3.6 mp -106.0 143.13 17.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.638 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.641 ' HD2' ' HG3' ' A' ' 110' ' ' PRO . 51.7 mtpt -118.04 146.83 43.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.011 0.434 . . . . 0.0 110.558 176.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.74 135.07 19.41 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.149 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.593 ' OE1' ' HA3' ' A' ' 24' ' ' GLY . 12.6 pt20 -158.37 104.34 1.83 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.893 0.378 . . . . 0.0 110.472 -176.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -146.98 -85.17 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 176.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.406 ' O ' ' HB2' ' A' ' 78' ' ' ARG . 20.4 t80 -92.78 10.83 29.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.359 -169.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.447 ' HG2' ' HB2' ' A' ' 35' ' ' SER . 23.1 mtm180 74.0 -35.9 0.32 Allowed 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.375 0.67 . . . . 0.0 112.125 178.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.7 m -56.69 106.82 0.33 Allowed 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.027 0.441 . . . . 0.0 110.569 177.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.53 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 21.5 mp0 -59.25 -36.58 75.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.127 -175.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -51.07 -54.08 28.08 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.414 0.446 . . . . 0.0 111.481 -176.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.656 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 3.6 pp -76.41 -30.12 57.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.176 0.513 . . . . 0.0 111.03 -176.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.444 HD22 ' HA ' ' A' ' 83' ' ' ASN . 6.9 m120 -68.7 -37.33 79.45 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.727 176.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.53 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 18.3 mtm180 -68.29 -47.4 67.72 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.7 177.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.656 ' HG2' ' HA ' ' A' ' 82' ' ' LEU . 12.9 pt-20 -65.22 -33.59 76.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.852 0.358 . . . . 0.0 111.129 -176.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.87 -37.77 82.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.871 0.367 . . . . 0.0 110.495 173.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.2 -41.6 94.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.191 176.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.546 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 88.8 mt -59.86 -49.61 83.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.157 175.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -55.61 -44.79 77.36 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.914 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -61.35 -44.29 97.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.959 177.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.2 pp -72.79 -38.19 67.33 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.554 -0.459 . . . . 0.0 110.979 -176.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.557 ' HA ' HD12 ' A' ' 95' ' ' ILE . 82.6 t -63.46 -39.19 84.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.936 0.398 . . . . 0.0 109.93 177.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.568 ' O ' ' HG2' ' A' ' 97' ' ' GLU . . . -60.85 -44.73 96.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.607 176.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 11.3 t -58.16 -37.87 64.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.039 177.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 92' ' ' VAL . 82.1 mt -56.23 -43.52 76.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.159 0.504 . . . . 0.0 110.262 175.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 2.2 mptm? -69.46 -37.91 77.54 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.838 177.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.568 ' HG2' ' O ' ' A' ' 93' ' ' ALA . 29.7 mm-40 -60.02 -43.36 95.33 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.462 -178.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.642 HD22 HD23 ' A' ' 56' ' ' LEU . 10.6 mp -76.09 -15.38 60.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.795 0.331 . . . . 0.0 111.246 -178.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.4 m -80.14 -29.33 38.83 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.585 0.707 . . . . 0.0 109.432 174.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -86.94 165.55 15.79 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.237 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -94.12 14.51 19.77 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 -179.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -97.34 -179.41 4.49 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.564 -171.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.0 pttm -101.24 142.48 32.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.204 0.526 . . . . 0.0 112.368 -170.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 29.7 t -139.93 117.81 11.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.0 173.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.4 ttm180 -121.27 125.06 46.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.624 -0.262 . . . . 0.0 111.271 -172.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.421 ' HB3' ' HG ' ' A' ' 63' ' ' LEU . 36.4 ttt180 -168.01 143.14 3.68 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 173.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -104.03 111.04 23.43 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.653 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 61.0 m -151.33 105.17 3.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.73 0.3 . . . . 0.0 111.139 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -139.63 87.85 12.83 Favored Pre-proline 0 C--O 1.234 0.286 0 CA-C-O 121.006 0.431 . . . . 0.0 111.412 174.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.641 ' HG3' ' HD2' ' A' ' 73' ' ' LYS . 38.9 Cg_endo -100.02 76.28 0.05 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.163 0 C-N-CA 123.754 2.97 . . . . 0.0 111.659 172.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.3 m -78.46 109.52 12.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.599 -176.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 25.8 ttm180 -154.79 104.61 2.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.783 174.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -153.47 116.18 4.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.706 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.5 m -148.64 117.43 6.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.403 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -174.28 98.44 0.1 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.774 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -149.76 133.24 16.62 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.064 0.459 . . . . 0.0 111.745 -177.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 1.3 ptp180 -155.36 106.11 2.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.41 -0.814 . . . . 0.0 109.75 171.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -120.53 141.3 50.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.547 -179.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.471 ' HG ' ' H ' ' A' ' 120' ' ' SER . 13.8 tp -173.88 -179.42 1.73 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.473 -175.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.471 ' H ' ' HG ' ' A' ' 119' ' ' LEU . 56.9 p 73.13 129.38 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.06 1.344 . . . . 0.0 112.774 174.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 41.8 p 173.63 113.56 0.02 OUTLIER 'General case' 0 C--O 1.233 0.232 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.684 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -147.86 130.98 16.36 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.04 0.448 . . . . 0.0 111.596 -176.241 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -168.69 108.43 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.957 179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -135.02 125.58 26.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.994 0.426 . . . . 0.0 111.628 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -162.54 166.77 24.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.03 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.4 t -175.45 139.58 0.45 Allowed 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.377 0.423 . . . . 0.0 110.037 -175.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.2 m -150.48 136.2 18.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.41 178.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.7 p -157.83 140.19 5.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.131 -176.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -138.5 150.49 46.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.294 176.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -154.92 107.99 2.81 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.392 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.564 ' HG ' ' HG3' ' A' ' 132' ' ' ARG . 2.6 pt? -169.21 -178.02 3.06 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.935 -178.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.564 ' HG3' ' HG ' ' A' ' 131' ' ' LEU . 99.5 mtt180 77.07 156.17 0.17 Allowed 'General case' 0 N--CA 1.467 0.418 0 O-C-N 124.302 1.001 . . . . 0.0 112.183 178.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 168.27 163.66 22.62 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.811 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -162.69 132.23 4.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 117.164 0.482 . . . . 0.0 110.844 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 48.6 t -126.59 126.08 68.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.775 178.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -135.47 144.7 46.54 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -135.69 94.85 14.58 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 120.921 0.391 . . . . 0.0 110.637 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_endo -88.68 117.85 0.95 Allowed 'Trans proline' 0 N--CA 1.455 -0.742 0 C-N-CA 123.296 2.664 . . . . 0.0 112.398 178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 87.9 mt -100.74 118.25 36.47 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.54 177.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -120.87 178.03 4.87 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 96.4 mt -124.12 157.51 34.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.354 0.597 . . . . 0.0 112.215 -170.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -122.71 159.87 27.06 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.17 -0.923 . . . . 0.0 108.823 173.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 5.6 t-160 -161.09 82.49 0.64 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.03 0.443 . . . . 0.0 110.481 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -83.77 115.16 22.08 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.012 177.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 2.8 p80 -112.41 116.17 29.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.296 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -103.14 129.74 50.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.051 178.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 51.9 t-80 -75.85 134.27 40.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.891 0.377 . . . . 0.0 110.549 -178.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.635 -0.698 . . . . 0.0 109.524 176.647 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.2 ttt . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.858 HD11 HD11 ' A' ' 15' ' ' LEU . 45.8 mm -105.4 132.06 53.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 121.035 0.445 . . . . 0.0 111.234 -178.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -118.62 120.85 38.67 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.252 176.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.881 ' HB ' HG13 ' A' ' 8' ' ' VAL . 34.7 mm -98.89 164.2 2.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -178.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.446 ' N ' HG22 ' A' ' 4' ' ' ILE . 2.6 p -61.16 142.71 56.54 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.066 0.46 . . . . 0.0 111.013 179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 73.05 43.38 0.4 Allowed 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.751 -179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 76.84 -25.33 0.2 Allowed 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 164.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.881 HG13 ' HB ' ' A' ' 4' ' ' ILE . 7.6 p -62.72 131.34 28.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.144 0.497 . . . . 0.0 111.099 -178.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.6 m -118.29 155.29 30.87 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.348 -175.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.552 ' HB ' ' HB ' ' A' ' 2' ' ' ILE . 57.0 mt -130.18 154.36 40.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.65 -0.704 . . . . 0.0 109.521 -179.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.49 162.3 25.92 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.147 0.499 . . . . 0.0 111.219 -177.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -79.06 -41.84 27.82 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.889 -174.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -85.69 14.97 5.08 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -170.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -94.94 -2.25 50.89 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-O 120.947 0.404 . . . . 0.0 111.115 178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.858 HD11 HD11 ' A' ' 2' ' ' ILE . 92.6 mt -79.89 140.76 36.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.737 177.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -105.89 112.93 26.18 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 175.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 50.6 mm -105.55 127.79 60.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.039 0.447 . . . . 0.0 110.974 -177.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 p -125.07 149.14 48.11 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.345 176.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -100.33 125.96 46.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.502 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.54 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 60.9 mt -71.48 143.89 13.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.108 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -51.41 106.14 0.13 Allowed 'General case' 0 CA--C 1.53 0.176 0 O-C-N 123.633 0.583 . . . . 0.0 111.859 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.92 -49.93 4.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.386 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.552 ' HA ' ' OD1' ' A' ' 31' ' ' ASN . 52.9 tt0 -82.5 103.07 11.77 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.787 -177.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -96.22 154.26 20.73 Favored Glycine 0 N--CA 1.447 -0.608 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.692 178.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.47 153.21 40.9 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.808 0.337 . . . . 0.0 111.146 -177.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 136.45 -64.21 0.58 Allowed Glycine 0 N--CA 1.449 -0.473 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.788 178.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -170.56 170.33 42.99 Favored Glycine 0 N--CA 1.443 -0.864 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 61.41 -173.56 0.14 Allowed 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.43 0.634 . . . . 0.0 111.416 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -112.78 102.02 10.07 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 174.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 9.1 p -111.45 -14.65 10.57 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.985 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.881 -171.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.552 ' OD1' ' HA ' ' A' ' 23' ' ' GLN . 42.0 m-80 -73.77 64.15 0.92 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.428 -0.806 . . . . 0.0 111.544 -178.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -103.15 -16.43 15.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.402 175.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 28.1 m -108.57 126.21 52.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.941 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.7 m -147.79 149.28 32.06 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.429 -0.212 . . . . 0.0 110.429 -179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 67.1 m 56.87 44.89 22.45 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 123.644 0.59 . . . . 0.0 112.281 177.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.54 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -90.33 127.8 36.27 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 174.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.566 ' HB ' ' HB3' ' A' ' 74' ' ' ALA . 50.0 mm -97.49 124.99 50.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-O 121.284 0.564 . . . . 0.0 111.02 -174.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.403 ' HB2' ' CG1' ' A' ' 20' ' ' ILE . 55.1 t-80 -118.73 115.76 25.16 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.437 178.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.625 HD21 ' HB ' ' A' ' 72' ' ' ILE . 2.6 pt? -132.79 150.28 52.18 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 32.6 ptt180 -130.79 137.4 49.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.154 0.502 . . . . 0.0 110.95 -179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -108.79 109.97 21.23 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 174.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -113.62 153.66 28.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.947 0.403 . . . . 0.0 111.302 -172.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.515 HG21 ' HE3' ' A' ' 53' ' ' LYS . 63.1 mt -64.63 -44.33 96.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.3 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -65.15 -19.04 65.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.915 -176.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.75 -18.13 62.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.657 177.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.9 t 66.3 179.34 0.21 Allowed 'General case' 0 N--CA 1.452 -0.367 0 CA-C-O 121.681 0.753 . . . . 0.0 111.268 178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.72 -48.05 0.98 Allowed Glycine 0 C--N 1.316 -0.577 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.732 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.422 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 94.4 mt -73.53 143.3 82.16 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-O 120.712 0.291 . . . . 0.0 110.947 -179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 17.8 Cg_exo -69.39 153.04 71.2 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.781 2.321 . . . . 0.0 111.49 174.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' A' ' 54' ' ' GLN . 44.5 mt-10 -57.83 -39.0 76.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 112.046 -174.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -55.83 -51.12 68.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.89 0.376 . . . . 0.0 111.225 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.453 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 85.9 m-85 -71.29 -34.3 70.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.305 -178.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.515 ' HE3' HG21 ' A' ' 43' ' ' ILE . 83.3 tttt -55.17 -42.57 73.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.125 175.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.538 ' HG2' ' O ' ' A' ' 50' ' ' GLU . 32.5 mm-40 -67.24 -40.31 86.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.227 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.4 mtp180 -68.14 -31.39 70.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.106 -175.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 52' ' ' TYR . 96.7 mt -63.34 -33.03 74.64 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.107 0.479 . . . . 0.0 110.759 177.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.0 mt -79.72 -17.46 53.52 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.838 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.8 m -84.18 -44.81 13.59 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.406 -177.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -87.37 106.85 18.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.546 -176.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 14.5 m -75.27 63.8 1.41 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.233 0.54 . . . . 0.0 110.635 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 22.9 t60 -81.4 142.78 32.67 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.6 t60 -63.49 -28.48 69.98 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -170.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.46 HD22 ' CG2' ' A' ' 94' ' ' VAL . 6.9 mp -72.13 -3.47 23.43 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.816 -0.354 . . . . 0.0 111.763 179.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.45 HD13 HG13 ' A' ' 70' ' ' ILE . 43.2 mm -76.56 126.58 37.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.571 -1.27 . . . . 0.0 107.571 167.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.585 ' HB2' HD13 ' A' ' 71' ' ' ILE . 19.0 t -74.23 -46.89 38.83 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.557 -167.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -155.01 -75.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.338 -176.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -91.54 -83.48 0.28 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.833 0.349 . . . . 0.0 111.086 -178.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -137.95 33.37 2.26 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 121.02 -0.609 . . . . 0.0 111.904 178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.501 HG13 ' HB3' ' A' ' 65' ' ' SER . 8.1 p -116.29 142.8 28.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 -178.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.45 HG13 HD13 ' A' ' 64' ' ' ILE . 4.4 mp -105.44 122.6 58.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.585 HD13 ' HB2' ' A' ' 65' ' ' SER . 1.6 mp -113.23 123.82 69.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 178.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.625 ' HB ' HD21 ' A' ' 39' ' ' LEU . 4.8 mp -111.75 134.15 55.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.168 -0.469 . . . . 0.0 109.898 178.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 73.0 mttt -106.02 119.31 38.86 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 121.541 0.686 . . . . 0.0 110.654 173.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.632 ' HB2' ' HB2' ' A' ' 87' ' ' ALA . . . -114.09 123.57 49.98 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.938 178.342 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -154.79 104.53 2.52 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.388 0.614 . . . . 0.0 110.92 -174.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -104.33 -73.45 0.67 Allowed 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 170.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -174.16 -48.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.226 172.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.679 ' HG2' ' H ' ' A' ' 79' ' ' SER . 23.2 ttp180 -146.58 177.98 8.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.969 -179.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.679 ' H ' ' HG2' ' A' ' 78' ' ' ARG . 19.3 m 65.79 85.92 0.14 Allowed 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.57 0.7 . . . . 0.0 110.384 -177.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 25.3 mp0 -62.73 -30.15 71.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.841 -172.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.71 -52.81 63.54 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.8 pp -71.95 -32.0 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.843 0.354 . . . . 0.0 110.18 -176.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -60.77 -45.08 95.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.781 174.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -65.21 -44.24 88.97 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.852 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -56.19 -41.42 75.51 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.71 -0.223 . . . . 0.0 111.58 177.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -69.57 -33.64 73.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.771 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.632 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . . . -67.06 -46.19 75.08 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.458 177.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.634 ' O ' ' HG ' ' A' ' 91' ' ' LEU . 77.9 mt -63.17 -48.7 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.277 177.398 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -58.89 -32.45 69.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.128 178.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.525 ' O ' HG23 ' A' ' 94' ' ' VAL . 23.1 tpt180 -66.21 -49.78 66.1 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.817 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.634 ' HG ' ' O ' ' A' ' 88' ' ' ILE . 3.8 pp -66.54 -36.23 82.18 Favored 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 121.078 -0.249 . . . . 0.0 110.496 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 88' ' ' ILE . 88.3 t -61.51 -42.91 95.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.427 176.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.96 91.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 177.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 90' ' ' ARG . 63.3 t -63.58 -49.22 83.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.458 177.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 91' ' ' LEU . 83.1 mt -59.35 -45.49 93.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.761 179.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 100' ' ' ALA . 98.2 mttt -65.04 -24.27 67.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.548 0.213 . . . . 0.0 111.503 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -77.14 -43.72 32.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.784 0.326 . . . . 0.0 111.308 175.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.0 mp -75.97 -33.01 59.76 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.674 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 81.1 p -99.84 8.72 43.96 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.603 -176.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 96' ' ' LYS . . . -62.88 143.07 57.98 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.399 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 67.7 mt-10 -72.53 93.27 1.56 Allowed 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.601 176.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -154.83 169.17 24.6 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.506 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 61.3 pttt -51.6 -38.69 55.69 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -170.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 15.7 m 66.18 -68.07 0.14 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.383 0.673 . . . . 0.0 111.941 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 105' ' ' ARG . 10.4 ttm180 -131.01 -48.84 1.02 Allowed 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.384 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.43 ' HD3' ' C ' ' A' ' 106' ' ' ARG . 0.4 OUTLIER 65.26 90.68 0.09 Allowed 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.982 0.801 . . . . 0.0 109.794 -175.279 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -154.29 17.41 0.48 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.933 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 14.7 t -169.13 170.75 8.55 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 -178.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.501 ' HA ' ' HD3' ' A' ' 110' ' ' PRO . 5.5 ptm180 -69.9 136.04 87.54 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.782 0.325 . . . . 0.0 110.673 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.501 ' HD3' ' HA ' ' A' ' 109' ' ' ARG . 4.7 Cg_exo -74.16 171.58 17.71 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 123.037 2.492 . . . . 0.0 112.857 -179.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.6 m -98.99 154.37 18.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.667 178.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 80.8 mtp180 -72.28 71.87 0.91 Allowed 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.954 0.407 . . . . 0.0 111.13 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -162.14 113.13 1.6 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.392 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 36.7 m -151.94 104.32 2.99 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.912 -0.403 . . . . 0.0 109.912 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -139.04 44.19 2.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.652 0.263 . . . . 0.0 111.276 -178.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -61.05 139.55 58.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.174 175.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -138.94 117.39 12.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.383 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -135.73 129.38 32.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.758 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.6 mt -123.43 74.37 1.24 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.293 175.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.7 m -85.88 76.73 9.83 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 23.5 m -109.98 96.08 6.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.081 0.467 . . . . 0.0 111.265 -176.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -151.04 107.44 3.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.882 177.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -132.61 79.85 1.87 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.162 0.506 . . . . 0.0 110.771 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -114.21 126.74 55.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.195 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -152.28 148.09 27.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.113 0.483 . . . . 0.0 111.058 -179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 44.9 m -152.96 96.82 2.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.612 175.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.8 m -136.22 106.44 6.38 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.943 0.401 . . . . 0.0 110.845 -176.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 7.0 p -140.77 130.36 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.082 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 20.1 ttmm -156.82 128.19 6.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.6 176.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -154.24 137.29 15.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.847 0.356 . . . . 0.0 111.166 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.0 pp -145.44 146.53 31.55 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.083 177.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.485 ' HD2' ' C ' ' A' ' 132' ' ' ARG . 1.6 ppt_? -149.7 173.5 13.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.876 -177.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.429 ' C ' ' HD2' ' A' ' 134' ' ' LYS . . . 136.72 143.0 4.53 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.274 178.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.429 ' HD2' ' C ' ' A' ' 133' ' ' GLY . 4.4 mptp? -126.08 132.9 51.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.794 0.297 . . . . 0.0 111.082 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 7.5 p -156.11 130.37 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 173.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -116.19 118.82 33.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.9 0.381 . . . . 0.0 110.894 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ARG . . . . . . . . . . . . . 35.9 ttm180 -100.64 109.33 57.18 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.115 175.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -86.35 163.26 9.75 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 123.083 2.522 . . . . 0.0 112.724 -178.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -165.73 142.7 5.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.509 178.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -135.66 172.17 13.39 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 176.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 35.9 tp -157.1 118.94 3.79 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.777 0.322 . . . . 0.0 111.57 -173.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -130.46 99.77 5.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.206 0.527 . . . . 0.0 110.742 171.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -121.84 144.7 48.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.136 174.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -149.47 132.48 16.22 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.486 -175.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -163.91 120.17 1.66 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.477 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -92.19 131.48 37.39 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.021 179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -120.81 139.38 53.21 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.84 176.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 . . . . . 0 C--O 1.246 0.882 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.109 178.149 . . . . . . . . 0 0 . 1 stop_ save_