data_2a02_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 2a02 _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 ' 3' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 . . . . . 0 N--CA 1.448 -0.544 0 N-CA-C 108.792 -0.818 . . . . 1.99 108.792 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.522 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 29.7 m-90 -133.37 160.88 36.05 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 110.288 -0.264 . . . . 1.52 110.288 -172.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 t -96.17 99.92 11.61 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.387 -0.968 . . . . 1.82 108.387 173.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.9 mt -86.24 153.38 22.05 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.37 -0.832 . . . . 1.28 111.819 -170.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -130.55 98.27 4.62 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.949 -1.13 . . . . 2.12 107.949 172.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.436 HD12 HD13 ' A' ' 20' ' ' LEU . 47.2 mm -117.72 125.92 27.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.015 -0.538 . . . . 1.57 110.968 -172.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.712 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 26.1 Cg_exo -64.55 153.34 77.79 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.95 2.433 . . . . 0.46 112.453 175.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.553 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . . . -109.97 20.89 17.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.852 0.834 . . . . 1.19 109.779 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.5 HE21 ' CB ' ' A' ' 15' ' ' SER . 12.1 pt20 -96.71 -150.02 0.33 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.566 -1.197 . . . . 1.66 109.246 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -53.27 131.33 37.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.813 0.816 . . . . 1.65 111.388 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.433 ' HB3' HD12 ' A' ' 35' ' ' ILE . 50.2 tpp -49.91 -34.41 20.28 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 114.294 -1.321 . . . . 1.5 112.57 -176.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -57.2 -33.06 67.11 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.393 -0.367 . . . . 2.56 111.18 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.5 ' CB ' HE21 ' A' ' 11' ' ' GLN . 6.5 m -78.1 -44.96 24.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.913 -0.585 . . . . 1.41 110.626 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.712 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -60.54 -46.46 90.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.97 -0.559 . . . . 1.13 111.542 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.64 -43.4 89.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 1.52 110.992 -178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.54 -37.39 86.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.931 0.396 . . . . 2.67 111.063 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.48 -40.42 93.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.125 -0.489 . . . . 1.07 110.405 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.436 HD13 HD12 ' A' ' 8' ' ' ILE . 60.3 tp -65.87 -34.67 78.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.0 -0.545 . . . . 1.64 110.16 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.55 -57.01 14.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.137 -0.938 . . . . 1.17 110.628 -175.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -63.1 -36.63 84.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.353 -0.84 . . . . 3.81 111.354 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -80.3 -18.52 49.03 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.887 0.699 . . . . 1.76 112.887 -171.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.8 p -120.32 9.34 10.99 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.635 -0.426 . . . . 1.26 111.992 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 60.73 47.32 8.14 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.013 -0.54 . . . . 2.11 111.017 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p -128.54 154.66 45.93 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.003 0.43 . . . . 1.35 111.44 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -103.46 120.18 40.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.901 -0.591 . . . . 2.97 109.53 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.553 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 9.8 mp -112.94 125.78 54.76 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.923 -0.399 . . . . 2.15 109.923 -176.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -106.47 120.76 42.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.917 -0.583 . . . . 2.63 110.211 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -156.53 157.67 35.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.339 -0.846 . . . . 1.29 109.731 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.1 t -102.72 114.09 65.51 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-O 120.827 0.346 . . . . 2.08 110.313 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.87 -30.14 77.07 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.0 2.466 . . . . 1.66 112.608 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -76.89 -32.04 57.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.094 -0.503 . . . . 2.96 111.069 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -84.79 -8.02 58.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.963 -0.562 . . . . 2.22 111.733 -171.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.433 HD12 ' HB3' ' A' ' 13' ' ' MET . 24.6 pt -96.89 -1.03 10.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.911 -0.316 . . . . 1.49 111.116 -178.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.73 17.19 33.69 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 116.067 -0.515 . . . . 1.4 114.304 173.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.05 40.38 93.13 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.804 -0.712 . . . . 1.1 112.569 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.9 mt -74.22 144.65 44.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.27 -0.27 . . . . 2.2 110.27 178.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -79.21 135.8 36.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.054 0.454 . . . . 4.32 110.238 176.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 p -83.96 156.47 22.3 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.731 -0.668 . . . . 0.66 111.758 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 t -87.93 95.83 10.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.8 -0.815 . . . . 1.91 108.8 176.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.553 ' HB1' ' HB2' ' A' ' 10' ' ' ALA . . . -58.04 115.44 2.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.44 -0.8 . . . . 1.41 111.932 -174.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.4 tp -114.25 83.59 1.9 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.455 -0.572 . . . . 2.06 109.455 174.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -102.09 103.61 14.19 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.515 0.674 . . . . 2.89 109.996 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.52 -162.98 31.86 Favored Glycine 0 N--CA 1.44 -1.045 0 N-CA-C 110.387 -1.085 . . . . 0.43 110.387 -174.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 34.0 ttm105 -98.74 111.86 24.11 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 117.139 0.47 . . . . 3.73 110.739 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -155.6 161.68 40.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.593 -0.73 . . . . 2.6 110.689 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.56 157.02 27.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.359 -0.837 . . . . 1.86 110.763 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 1.1 tm? -57.25 -58.28 8.91 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.116 0.166 . . . . 1.74 111.124 -173.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -59.2 -41.53 88.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.044 0.45 . . . . 2.89 110.983 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.7 m -63.09 -45.57 91.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.698 -0.683 . . . . 1.62 111.003 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.9 m -61.98 -42.74 99.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.341 -0.391 . . . . 1.66 110.823 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 95.9 mt -57.38 -46.11 83.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.128 -0.487 . . . . 1.3 110.219 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -61.48 -45.21 95.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.714 -0.675 . . . . 3.91 111.271 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.2 mt -67.77 -42.5 86.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.855 0.36 . . . . 1.86 111.468 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.11 -41.56 67.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.305 -0.407 . . . . 2.18 110.833 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.473 HD11 ' HB2' ' A' ' 62' ' ' LEU . 3.0 tm? -72.13 -44.59 62.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.034 -0.53 . . . . 2.71 110.805 -175.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -46.53 112.64 0.52 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.574 0.546 . . . . 2.3 111.613 -177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.59 -13.66 5.61 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.585 -0.734 . . . . 1.62 111.947 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.2 p -107.03 3.0 25.48 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.091 0.404 . . . . 1.76 112.091 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.12 25.22 53.58 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 114.16 0.424 . . . . 1.5 114.16 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.473 ' HB2' HD11 ' A' ' 57' ' ' LEU . 80.8 mt -100.46 169.33 9.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.403 -0.469 . . . . 1.77 110.434 -178.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.6 mpt_? -121.75 126.29 48.55 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.96 -0.385 . . . . 4.83 109.96 177.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -100.51 125.46 46.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.108 0.48 . . . . 1.93 110.851 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.42 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 48.1 mt-30 -101.54 110.36 22.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.903 -0.589 . . . . 3.17 109.81 175.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.7 tt -104.78 114.8 45.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.277 0.561 . . . . 1.84 110.451 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -135.62 101.25 4.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.881 -0.599 . . . . 2.29 110.346 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.06 -105.09 0.77 Allowed Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 121.045 -0.597 . . . . 1.45 112.959 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -106.93 7.78 30.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.922 0.391 . . . . 2.97 110.26 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 m -109.2 125.96 52.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.939 0.4 . . . . 1.38 111.038 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.553 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 58.7 t -122.16 111.59 31.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.397 -0.594 . . . . 1.33 109.397 175.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.42 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 19.1 m -110.38 112.52 24.51 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.891 0.377 . . . . 1.36 110.542 -176.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.3 t -93.38 104.64 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.843 -0.429 . . . . 1.42 109.843 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 116.237 -0.438 . . . . 2.29 110.334 -178.436 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.675 ' OE2' ' HA ' ' A' ' 47' ' ' HIS . 48.1 mt-10 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.874 0.369 . . . . 1.99 110.83 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.474 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 22.3 m-90 -134.53 164.59 27.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.92 -0.582 . . . . 1.52 110.084 -175.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.4 m -91.17 98.54 11.8 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.684 -0.858 . . . . 1.82 108.684 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.3 mt -107.79 152.01 24.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.017 -0.538 . . . . 1.28 111.238 -172.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -133.0 106.11 7.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.732 -0.667 . . . . 2.12 109.745 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.432 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 1.8 mp -105.87 120.47 48.97 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.349 -0.387 . . . . 1.57 110.518 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.703 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 32.0 Cg_exo -62.28 149.28 91.25 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.434 2.756 . . . . 0.46 113.095 178.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.543 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . . . -96.95 30.2 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.685 0.755 . . . . 1.19 109.591 175.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -98.15 -151.13 0.37 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.56 -1.2 . . . . 1.66 108.887 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -56.92 138.68 53.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.679 -0.489 . . . . 1.65 109.679 173.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.428 ' HB3' HD13 ' A' ' 35' ' ' ILE . 55.7 tpp -51.73 -26.23 9.0 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.779 -0.646 . . . . 1.5 110.727 176.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -55.37 -40.63 71.56 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.285 -0.871 . . . . 2.56 110.907 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.0 m -74.18 -42.22 60.21 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.944 0.402 . . . . 1.41 110.453 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.703 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -59.84 -47.41 85.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.838 -0.619 . . . . 1.13 111.797 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.31 -41.12 85.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.435 -0.348 . . . . 1.52 110.893 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.36 -38.86 92.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 2.67 110.429 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.64 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 1.07 111.022 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.2 tp -66.28 -34.93 79.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.061 0.458 . . . . 1.64 110.124 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.552 ' HB1' HD22 ' A' ' 28' ' ' LEU . . . -61.04 -54.12 48.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.036 -0.984 . . . . 1.17 110.587 -177.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -64.07 -42.47 96.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.673 -0.694 . . . . 3.81 110.947 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -62.69 -34.38 77.01 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.919 0.711 . . . . 1.76 112.919 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.3 p -113.17 3.1 15.88 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.785 -0.366 . . . . 1.26 111.75 -175.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 56.7 49.01 15.21 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.351 -0.84 . . . . 2.11 110.229 -176.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.3 p -113.65 160.64 18.38 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.349 -0.842 . . . . 1.35 110.036 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -102.54 122.65 44.78 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.567 -0.531 . . . . 2.97 109.567 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.552 HD22 ' HB1' ' A' ' 21' ' ' ALA . 2.1 mm? -101.78 122.91 44.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.466 -0.334 . . . . 2.15 110.32 -177.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.84 100.11 9.64 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.914 -0.773 . . . . 2.63 108.914 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.429 ' CD1' ' HB3' ' A' ' 28' ' ' LEU . 37.7 p90 -156.77 160.61 39.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.914 -0.584 . . . . 1.29 110.156 -175.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.433 ' O ' HG12 ' A' ' 35' ' ' ILE . 77.7 p -136.46 142.41 39.3 Favored Pre-proline 0 C--N 1.316 -0.856 0 N-CA-C 109.365 -0.606 . . . . 2.08 109.365 175.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.94 -20.2 43.53 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.747 2.298 . . . . 1.66 111.103 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -66.65 -49.19 67.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.458 -0.792 . . . . 2.96 110.691 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -73.78 -33.23 64.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.93 -0.577 . . . . 2.22 110.925 -173.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.437 HG13 ' H ' ' A' ' 37' ' ' GLY . 31.1 pt -94.74 -3.38 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.441 -0.345 . . . . 1.49 111.608 -175.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.41 8.92 40.67 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 121.448 -0.406 . . . . 1.4 113.687 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 63.23 43.35 98.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.199 -0.524 . . . . 1.1 112.73 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 pp -87.69 159.54 18.47 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.035 -0.357 . . . . 2.2 110.035 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -82.48 141.99 32.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.184 0.516 . . . . 4.32 111.249 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 p -90.67 158.04 17.13 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.386 -0.825 . . . . 0.66 110.627 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.4 m -89.56 125.29 35.16 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.559 -0.534 . . . . 1.91 109.559 173.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . . . -57.5 106.09 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 O-C-N 123.752 0.658 . . . . 1.41 111.489 -175.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.95 84.26 1.96 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.443 -0.947 . . . . 2.06 108.443 178.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -121.27 124.94 45.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.315 0.578 . . . . 2.89 110.487 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.59 -161.77 33.33 Favored Glycine 0 N--CA 1.441 -0.975 0 N-CA-C 110.677 -0.969 . . . . 0.43 110.677 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 58.7 mtm180 -97.11 95.73 7.97 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.84 -0.43 . . . . 3.73 109.84 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.675 ' HA ' ' OE2' ' A' ' 3' ' ' GLU . 6.9 m-70 -145.51 159.32 43.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.509 . . . . 2.6 111.017 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -85.79 175.85 8.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.674 -0.694 . . . . 1.86 110.807 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.74 -54.82 42.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 1.74 111.625 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -61.01 -45.1 96.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.445 -0.343 . . . . 2.89 111.733 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.8 m -60.26 -43.93 95.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.756 0.312 . . . . 1.62 110.837 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.6 m -60.92 -47.72 85.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.418 -0.355 . . . . 1.66 110.639 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.11 -42.82 99.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.25 -0.432 . . . . 1.3 111.224 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -48.85 77.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.923 -0.581 . . . . 3.91 110.566 -176.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.0 mt -72.96 -33.57 43.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.541 -0.299 . . . . 1.86 110.972 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.1 tp -67.08 -41.01 87.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.63 0.253 . . . . 2.18 111.044 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 64' ' ' TYR . 79.1 mt -101.8 14.32 32.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 2.71 111.104 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -53.83 92.5 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.446 -0.797 . . . . 2.3 111.632 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.13 30.9 77.76 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.276 -0.488 . . . . 1.62 113.162 176.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.9 p -89.97 0.87 56.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.056 0.455 . . . . 1.76 111.608 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.4 -5.44 84.49 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.947 -0.644 . . . . 1.5 112.125 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.6 mt -97.09 149.73 21.63 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.456 -0.572 . . . . 1.77 109.456 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -122.68 157.2 32.77 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.406 -0.961 . . . . 4.83 108.406 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.494 ' HA ' ' O ' ' A' ' 72' ' ' THR . 51.5 p90 -141.41 127.97 20.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.466 0.651 . . . . 1.93 111.84 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -107.53 123.09 47.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.339 -0.846 . . . . 3.17 108.891 168.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.6 tt -102.87 98.53 6.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.893 0.854 . . . . 1.84 110.502 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -100.63 115.14 29.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.513 -0.767 . . . . 2.29 109.919 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.99 -111.59 4.32 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.885 -0.598 . . . . 1.45 112.076 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -112.0 12.67 20.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.188 0.518 . . . . 2.97 109.88 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.3 m -113.31 131.64 55.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.757 -0.656 . . . . 1.38 110.915 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.462 ' HB ' HD11 ' A' ' 28' ' ' LEU . 43.8 t -111.04 117.8 55.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.604 -0.726 . . . . 1.33 109.221 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.494 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 7.5 m -103.05 106.7 17.27 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.842 0.353 . . . . 1.36 110.572 -174.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.3 t -91.15 113.04 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.95 -0.568 . . . . 1.42 109.638 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.8 m . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 115.851 -0.613 . . . . 2.29 111.269 -175.38 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.212 0 CA-C-O 121.1 0.476 . . . . 1.99 111.14 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 28.6 m-90 -133.22 157.56 45.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.619 -0.718 . . . . 1.52 109.309 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 t -94.42 103.91 15.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.954 0.883 . . . . 1.82 108.908 174.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -96.06 155.78 16.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.226 -0.897 . . . . 1.28 112.056 -169.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -140.25 107.73 5.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.103 -0.953 . . . . 2.12 108.87 172.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.718 HD11 HD11 ' A' ' 20' ' ' LEU . 79.2 mt -121.01 124.63 27.34 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 115.723 -0.671 . . . . 1.57 110.358 -174.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.888 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 50.1 Cg_exo -56.72 162.8 8.01 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.564 2.842 . . . . 0.46 113.559 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 42' ' ' ALA . . . -117.9 25.82 10.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.951 0.881 . . . . 1.19 109.286 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 10.8 pt20 -104.61 -149.11 0.41 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 113.839 -1.528 . . . . 1.66 109.391 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.7 p -55.76 128.67 35.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.679 0.752 . . . . 1.65 110.865 175.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.442 ' HB3' HD11 ' A' ' 35' ' ' ILE . 48.9 ttm -52.15 -29.94 24.36 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 114.558 -1.201 . . . . 1.5 112.995 -174.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -58.18 -37.96 75.76 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.5 0.185 . . . . 2.56 111.5 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.6 m -75.55 -39.12 58.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.433 0.635 . . . . 1.41 109.777 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.888 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.86 -43.81 98.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.231 -0.895 . . . . 1.13 111.765 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.504 ' O ' HD13 ' A' ' 28' ' ' LEU . 96.5 mt -65.14 -39.03 92.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.168 -0.469 . . . . 1.52 110.856 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.56 -37.72 88.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.037 0.446 . . . . 2.67 110.453 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.58 81.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.121 -0.49 . . . . 1.07 110.928 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.718 HD11 HD11 ' A' ' 8' ' ' ILE . 63.8 tp -65.46 -36.49 84.06 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.135 0.493 . . . . 1.64 109.875 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.99 -55.05 29.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.221 -0.9 . . . . 1.17 110.376 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -64.76 -34.19 77.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.635 -0.711 . . . . 3.81 111.385 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -65.91 -26.74 67.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.434 -0.348 . . . . 1.76 111.769 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.1 p -115.32 1.64 13.8 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.756 0.28 . . . . 1.26 111.756 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 58.98 39.34 23.68 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.736 -0.666 . . . . 2.11 110.745 -177.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.7 p -112.06 166.31 11.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.953 -0.567 . . . . 1.35 110.896 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -103.77 119.5 39.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.215 -0.448 . . . . 2.97 110.132 176.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.512 HD21 ' HB ' ' A' ' 71' ' ' VAL . 73.7 mt -112.18 115.19 28.42 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.023 -0.732 . . . . 2.15 109.023 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.7 mt -102.48 121.85 43.16 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.922 -0.581 . . . . 2.63 110.284 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -157.68 155.4 29.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.004 0.43 . . . . 1.29 110.91 -175.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.438 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 35.0 t -104.05 122.54 43.95 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 2.08 109.672 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -59.95 -36.75 89.1 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.548 2.832 . . . . 1.66 113.568 -173.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -75.11 -27.44 59.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.228 0.537 . . . . 2.96 110.773 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.438 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 7.0 m-20 -87.58 -1.02 57.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.91 -0.586 . . . . 2.22 111.749 -170.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.442 HD11 ' HB3' ' A' ' 13' ' ' MET . 30.4 pt -101.62 8.2 9.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.106 0.479 . . . . 1.49 110.043 174.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.76 6.09 34.74 Favored Glycine 0 C--N 1.336 0.566 0 CA-C-N 115.328 -0.851 . . . . 1.4 114.387 171.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.18 38.22 96.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.586 -0.816 . . . . 1.1 111.533 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.3 mt -83.56 157.93 22.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.665 -0.267 . . . . 2.2 110.296 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 33.6 ptt180 -79.41 143.89 34.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.169 0.509 . . . . 4.32 109.902 173.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.7 p -87.94 156.21 19.46 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.568 -0.742 . . . . 0.66 111.308 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.5 m -88.98 100.57 13.31 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.89 -0.781 . . . . 1.91 108.89 173.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.428 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . . . -56.92 112.4 1.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.344 -0.844 . . . . 1.41 111.622 -174.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.0 tp -115.06 91.61 3.67 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.289 0.566 . . . . 2.06 109.628 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -114.62 110.76 20.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.777 -0.647 . . . . 2.89 110.382 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.24 -162.07 33.21 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.043 -0.98 . . . . 0.43 111.247 -174.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -98.13 95.66 7.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.92 0.39 . . . . 3.73 109.992 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -140.05 159.92 41.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.207 -0.451 . . . . 2.6 110.778 -178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -90.5 169.24 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.718 -0.674 . . . . 1.86 109.633 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 46.6 tp -59.27 -57.76 11.6 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.302 0.376 . . . . 1.74 111.898 -172.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -60.72 -44.26 96.84 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 111.976 0.362 . . . . 2.89 111.976 -174.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.6 m -62.12 -40.59 96.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 1.62 110.87 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -62.56 -40.45 96.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.419 . . . . 1.66 110.741 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 92.2 mt -61.66 -40.41 94.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.892 -0.595 . . . . 1.3 110.306 177.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -61.78 -54.82 37.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.022 -0.535 . . . . 3.91 111.23 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.6 mt -61.89 -36.41 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 1.86 111.539 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 56' ' ' LEU . 5.3 tt -75.09 -37.11 61.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.455 -0.338 . . . . 2.18 110.53 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.6 mt -106.94 25.36 11.43 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.962 0.356 . . . . 2.71 111.962 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -48.82 -66.7 0.36 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.051 0.453 . . . . 2.3 112.125 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.1 41.16 1.62 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.735 -0.745 . . . . 1.62 112.356 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.7 p -90.6 -13.44 34.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.528 0.204 . . . . 1.76 111.312 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.37 6.18 78.28 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.777 -0.725 . . . . 1.5 112.456 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.2 mt -111.96 156.28 22.37 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.068 -0.345 . . . . 1.77 110.068 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -123.19 173.27 8.01 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.977 -0.379 . . . . 4.83 109.977 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -141.2 131.06 24.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.172 0.511 . . . . 1.93 111.44 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -100.36 112.32 24.65 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.833 -0.803 . . . . 3.17 108.833 171.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.3 tt -102.95 121.18 53.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.115 0.483 . . . . 1.84 111.002 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -129.64 95.38 3.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.709 -0.678 . . . . 2.29 109.792 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.88 -100.08 0.47 Allowed Glycine 0 CA--C 1.518 0.28 0 CA-C-N 115.761 -0.654 . . . . 1.45 112.865 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -118.16 9.56 12.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.409 0.624 . . . . 2.97 110.154 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.1 m -117.17 129.64 56.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.803 -0.635 . . . . 1.38 109.945 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.512 ' HB ' HD21 ' A' ' 28' ' ' LEU . 42.9 t -127.08 132.76 69.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.802 0.334 . . . . 1.33 110.245 -176.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.6 m -113.42 116.51 29.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.39 -0.368 . . . . 1.36 110.541 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.8 t -81.2 116.6 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.032 0.444 . . . . 1.42 109.913 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.3 m . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.967 -0.56 . . . . 2.29 110.317 -176.535 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 109.644 -0.502 . . . . 1.99 109.644 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.443 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 27.5 m-90 -126.67 148.21 49.86 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.912 -0.585 . . . . 1.52 109.918 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.9 m -96.74 98.12 9.89 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.052 -1.092 . . . . 1.82 108.052 172.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.16 157.08 18.41 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.409 -0.814 . . . . 1.28 111.759 -170.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -136.62 98.15 3.73 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.331 -0.989 . . . . 2.12 108.331 174.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.435 HG23 ' HB3' ' A' ' 16' ' ' ALA . 47.6 mm -106.99 122.17 42.47 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.812 -0.631 . . . . 1.57 111.147 -171.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.654 ' HB3' HE22 ' A' ' 11' ' ' GLN . 48.0 Cg_exo -57.41 159.54 15.94 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.338 2.692 . . . . 0.46 112.803 176.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' ' 42' ' ' ALA . . . -118.12 26.27 9.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.641 0.734 . . . . 1.19 110.365 -178.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.654 HE22 ' HB3' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -109.51 -144.62 0.39 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.167 -0.924 . . . . 1.66 109.502 179.771 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m -52.72 127.05 21.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.174 0.511 . . . . 1.65 110.968 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 52.1 tpp -49.65 -33.75 16.45 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 114.862 -1.063 . . . . 1.5 111.952 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.876 HD22 ' HB3' ' A' ' 32' ' ' PRO . 15.6 m120 -56.98 -33.48 67.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 2.56 111.948 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 m -79.35 -46.08 18.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.186 0.517 . . . . 1.41 110.007 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.603 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -63.91 -43.32 96.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.496 -0.774 . . . . 1.13 111.793 -176.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.8 mt -65.95 -42.98 89.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.615 -0.266 . . . . 1.52 110.909 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.51 ' O ' ' HG2' ' A' ' 22' ' ' LYS . 9.2 tt0 -62.9 -36.87 84.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.816 0.341 . . . . 2.67 110.32 178.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -64.57 -42.56 95.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 1.07 110.572 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.2 tp -65.68 -35.01 79.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.108 -0.496 . . . . 1.64 110.216 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.09 -45.43 93.56 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.234 -0.894 . . . . 1.17 110.277 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 73.1 mmtt -63.17 -48.63 77.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.659 -0.7 . . . . 3.81 110.713 178.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 86.7 mt-30 -60.02 -32.34 70.8 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.622 -0.717 . . . . 1.76 112.227 -173.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.522 HG23 HD13 ' A' ' 49' ' ' LEU . 25.6 p -110.86 -3.29 15.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.063 0.459 . . . . 1.26 111.471 -176.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t70 57.8 41.32 25.15 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.198 -0.91 . . . . 2.11 110.499 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 p -106.76 175.16 5.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.691 -0.686 . . . . 1.35 111.203 -177.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -109.01 112.49 24.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.94 -0.573 . . . . 2.97 110.25 175.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.8 mt -108.91 113.67 26.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.079 -0.51 . . . . 2.15 109.746 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -105.78 118.94 37.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.1 -0.5 . . . . 2.63 109.953 -177.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -147.95 153.74 39.43 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.705 -0.68 . . . . 1.29 109.462 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.628 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 26.6 t -98.19 104.81 24.8 Favored Pre-proline 0 C--N 1.317 -0.833 0 N-CA-C 109.756 -0.461 . . . . 2.08 109.756 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.876 ' HB3' HD22 ' A' ' 14' ' ' ASN . 12.5 Cg_endo -57.32 -30.39 87.5 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.937 2.425 . . . . 1.66 112.054 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.62 -37.32 73.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.83 -0.623 . . . . 2.96 110.414 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.628 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 4.0 m-20 -86.06 -1.43 57.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.641 0.608 . . . . 2.22 112.641 -172.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.586 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 40.5 pt -99.53 -4.92 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.631 -0.427 . . . . 1.49 111.001 178.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.96 15.69 56.19 Favored Glycine 0 CA--C 1.523 0.552 0 CA-C-N 116.236 -0.438 . . . . 1.4 114.13 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.62 51.72 39.68 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.795 -0.717 . . . . 1.1 112.683 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.5 mt -81.77 165.44 20.91 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.403 -0.221 . . . . 2.2 110.403 177.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -98.45 148.65 23.5 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.701 -0.481 . . . . 4.32 109.701 174.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.3 p -89.35 151.61 21.97 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.813 -0.63 . . . . 0.66 111.722 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.7 t -87.89 119.99 28.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.337 -0.847 . . . . 1.91 108.879 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.477 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . . . -59.49 100.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.941 -0.572 . . . . 1.41 111.468 -177.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.9 tp -117.4 84.43 2.15 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.346 -0.612 . . . . 2.06 109.346 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -117.31 119.66 35.81 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.36 0.6 . . . . 2.89 110.68 -177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.53 -163.63 35.01 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.506 -0.77 . . . . 0.43 111.281 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 22.3 ttt180 -103.25 109.02 20.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.898 0.349 . . . . 3.73 110.416 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -153.82 173.5 15.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.399 -0.364 . . . . 2.6 111.045 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -79.54 153.5 29.48 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.686 -0.688 . . . . 1.86 110.054 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.522 HD13 HG23 ' A' ' 24' ' ' THR . 61.1 tp -57.48 -50.53 72.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.585 0.231 . . . . 1.74 111.509 -175.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 tm0? -60.88 -44.82 96.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 2.89 110.654 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.69 -39.36 88.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.436 -0.347 . . . . 1.62 111.572 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.3 t -60.33 -49.6 76.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.3 -0.409 . . . . 1.66 110.103 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.38 -40.05 85.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.101 -0.5 . . . . 1.3 110.454 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -57.56 -46.73 83.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.518 -0.764 . . . . 3.91 110.934 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.0 mt -76.58 -41.11 34.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.031 -0.531 . . . . 1.86 111.448 -175.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.8 -43.59 71.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 2.18 111.231 -175.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.546 ' HG ' ' HB3' ' A' ' 64' ' ' TYR . 4.6 mm? -73.17 -47.02 47.29 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.506 0.558 . . . . 2.71 112.506 -174.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -50.07 117.92 2.62 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.471 0.653 . . . . 2.3 111.567 -177.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.03 -14.94 11.11 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.623 -0.717 . . . . 1.62 112.247 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 47.9 p -89.88 -8.78 51.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.702 0.287 . . . . 1.76 111.646 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.1 2.95 89.43 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.554 -0.831 . . . . 1.5 112.678 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.7 mt -102.39 164.66 11.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.779 0.323 . . . . 1.77 110.479 -177.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -116.73 132.07 56.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.11 -0.496 . . . . 4.83 109.987 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.546 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 31.1 p90 -100.41 118.21 36.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.243 0.544 . . . . 1.93 110.801 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -108.66 134.23 51.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.613 -0.721 . . . . 3.17 109.817 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.0 tt -113.82 130.97 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.267 0.556 . . . . 1.84 111.053 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -132.32 98.47 4.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.548 -0.751 . . . . 2.29 109.934 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.31 -98.44 0.32 Allowed Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.976 -0.631 . . . . 1.45 112.177 -175.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -124.89 22.44 8.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.835 0.826 . . . . 2.97 109.229 175.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.8 m -111.58 130.91 55.59 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.744 -1.116 . . . . 1.38 109.496 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.4 t -119.21 125.7 74.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.897 -0.409 . . . . 1.33 109.897 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 m -113.67 116.71 29.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.941 0.4 . . . . 1.36 110.557 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.9 t -97.94 103.53 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.984 -0.553 . . . . 1.42 110.112 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 116.027 -0.533 . . . . 2.29 110.438 -176.523 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.463 ' HB3' ' HG2' ' A' ' 46' ' ' ARG . 11.9 mt-10 . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 109.41 -0.589 . . . . 1.99 109.41 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.538 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 20.9 m-90 -134.32 159.28 41.49 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.793 -0.447 . . . . 1.52 109.793 -178.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.1 m -91.12 98.24 11.63 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.598 -0.89 . . . . 1.82 108.598 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.2 mt -97.56 151.81 19.67 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.39 -0.823 . . . . 1.28 110.704 -173.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -138.52 98.3 3.55 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.055 -0.721 . . . . 2.12 109.055 175.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.447 HG23 HD11 ' A' ' 56' ' ' LEU . 1.8 mp -102.75 124.76 37.8 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.557 -0.747 . . . . 1.57 110.776 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.75 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 49.4 Cg_exo -59.18 162.12 14.78 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.673 2.915 . . . . 0.46 113.448 179.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 42' ' ' ALA . . . -110.83 25.5 11.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.464 -0.789 . . . . 1.19 109.741 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -106.53 -158.85 0.67 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.474 -1.239 . . . . 1.66 108.971 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.8 m -50.2 132.02 23.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.012 0.434 . . . . 1.65 110.854 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.2 ttm -51.34 -25.22 5.61 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.273 -0.876 . . . . 1.5 111.191 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.584 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 39.1 t-20 -53.38 -44.99 69.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.518 -0.764 . . . . 2.56 110.459 176.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 m -77.45 -34.71 54.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.917 0.389 . . . . 1.41 110.453 -178.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.75 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.46 -41.52 97.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 1.13 111.046 177.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.3 mt -65.15 -40.76 94.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.21 -0.45 . . . . 1.52 110.457 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 14' ' ' ASN . 77.5 mt-30 -60.34 -40.17 89.71 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.88 0.371 . . . . 2.67 110.276 176.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.681 ' O ' ' HB2' ' A' ' 23' ' ' GLN . . . -66.61 -41.12 88.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.897 -0.592 . . . . 1.07 111.031 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.1 mt -67.02 -35.38 79.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.763 0.315 . . . . 1.64 110.968 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.567 ' HB3' HD12 ' A' ' 28' ' ' LEU . . . -60.11 -63.06 1.43 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.671 -0.695 . . . . 1.17 110.599 -177.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.41 -25.96 68.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 3.81 111.064 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.681 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 2.0 tp-100 -61.65 -41.8 98.02 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.183 -0.462 . . . . 1.76 110.868 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.7 p -121.74 19.44 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 1.26 111.471 -175.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 41.49 42.03 1.79 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.004 0.922 . . . . 2.11 112.304 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.7 p -98.34 170.58 8.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 1.35 111.333 -176.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.854 HE21 ' HA ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -106.62 135.75 47.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.071 -0.513 . . . . 2.97 110.093 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.567 HD12 ' HB3' ' A' ' 21' ' ' ALA . 72.3 mt -103.61 131.72 50.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.944 0.402 . . . . 2.15 110.988 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.9 tp -122.3 101.79 7.72 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.62 -0.718 . . . . 2.63 109.745 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -168.0 162.53 13.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.141 -0.482 . . . . 1.29 110.339 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.403 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 14.1 m -102.47 111.39 64.57 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.244 -0.65 . . . . 2.08 109.244 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.519 ' O ' HG12 ' A' ' 35' ' ' ILE . 51.2 Cg_exo -54.18 -38.91 88.01 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.736 2.957 . . . . 1.66 114.047 -171.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.85 -16.99 59.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.78 0.324 . . . . 2.96 111.436 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.403 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 4.9 m-20 -89.91 -0.26 57.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.257 0.465 . . . . 2.22 112.257 -173.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 32' ' ' PRO . 36.6 pt -98.83 0.26 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.755 -0.378 . . . . 1.49 110.651 178.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.44 19.89 49.16 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.821 -0.627 . . . . 1.4 114.049 173.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 55.73 37.72 69.94 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.168 -0.539 . . . . 1.1 112.69 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 91.5 mt -68.35 126.7 30.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.578 -0.527 . . . . 2.2 109.578 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -80.47 137.88 36.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.473 0.654 . . . . 4.32 111.148 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.4 p -92.5 163.37 13.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.126 -0.943 . . . . 0.66 110.678 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 m -87.12 140.47 29.52 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.735 -0.839 . . . . 1.91 108.735 173.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.527 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . . . -57.57 101.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.527 0.517 . . . . 1.41 110.799 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.408 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 20.3 tp -110.13 98.88 8.05 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.52 -0.548 . . . . 2.06 109.52 -178.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.499 ' HE3' ' HB2' ' A' ' 44' ' ' LYS . 15.1 ptmt -136.86 122.89 20.27 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.349 0.595 . . . . 2.89 111.132 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.53 -163.69 33.64 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.239 -0.891 . . . . 0.43 111.059 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 31.4 ttp180 -95.92 95.88 8.54 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.416 -0.587 . . . . 3.73 109.416 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -138.76 163.06 33.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.944 0.402 . . . . 2.6 111.467 -174.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -78.95 154.98 29.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.238 -0.892 . . . . 1.86 109.287 173.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.505 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 61.2 tp -56.85 -47.7 79.79 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.067 0.46 . . . . 1.74 110.639 -177.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -62.71 -34.85 77.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.794 -0.639 . . . . 2.89 110.651 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.404 ' O ' HG13 ' A' ' 55' ' ' ILE . 46.5 t -61.64 -46.43 89.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.793 -0.639 . . . . 1.62 109.829 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.7 t -60.85 -44.65 96.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 1.66 110.648 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.61 -43.01 98.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 1.3 111.103 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -66.73 -43.71 83.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.515 . . . . 3.91 111.464 -176.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 51' ' ' SER . 79.8 mt -63.76 -44.46 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.829 0.347 . . . . 1.86 110.71 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.447 HD11 HG23 ' A' ' 8' ' ' ILE . 82.8 mt -70.58 -51.76 26.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 2.18 111.869 -177.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.411 HD23 ' HB3' ' A' ' 64' ' ' TYR . 7.6 mp -95.12 23.22 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.586 0.232 . . . . 2.71 111.536 -175.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -50.45 -55.91 13.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 2.3 111.411 177.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.59 41.53 1.23 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.656 -0.783 . . . . 1.62 112.498 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.3 p -87.32 -6.53 58.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.783 0.325 . . . . 1.76 111.772 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.79 -8.62 61.65 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.708 -0.758 . . . . 1.5 112.498 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.9 mt -109.84 160.05 16.69 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.552 -0.536 . . . . 1.77 109.552 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -116.64 136.33 53.06 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.976 0.417 . . . . 4.83 110.855 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.411 ' HB3' HD23 ' A' ' 57' ' ' LEU . 22.4 p90 -99.19 145.47 27.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.598 -0.728 . . . . 1.93 109.966 178.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.523 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 35.5 tt0 -139.83 134.75 32.18 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.495 -0.557 . . . . 3.17 109.495 176.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.9 tt -120.04 135.43 60.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.977 0.418 . . . . 1.84 110.547 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -150.43 117.47 5.94 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.081 -0.711 . . . . 2.29 109.081 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.31 -107.08 1.74 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.629 -0.796 . . . . 1.45 111.365 -174.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -127.15 23.5 6.48 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.218 0.532 . . . . 2.97 109.695 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.7 m -107.86 132.72 53.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.704 -0.68 . . . . 1.38 110.648 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.5 t -112.48 117.63 55.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.526 -0.761 . . . . 1.33 109.556 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.523 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 26.3 m -107.94 131.47 54.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.815 0.34 . . . . 1.36 110.698 -176.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.1 t -114.97 106.44 20.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.175 -0.466 . . . . 1.42 109.905 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 116.16 -0.473 . . . . 2.29 110.369 -178.734 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.93 -0.396 . . . . 1.99 109.93 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 20.2 m-90 -126.09 155.58 41.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.2 -0.454 . . . . 1.52 110.78 -173.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.4 m -90.19 98.13 11.59 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.446 -0.946 . . . . 1.82 108.446 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.645 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 75.6 mt -109.24 111.08 22.47 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.317 -0.856 . . . . 1.28 110.84 -171.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -96.82 97.84 9.63 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.368 -0.975 . . . . 2.12 108.368 172.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.8 mm -98.5 123.98 48.19 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.939 -0.573 . . . . 1.57 110.926 -172.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.549 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 52.5 Cg_exo -56.06 156.44 20.18 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.248 2.632 . . . . 0.46 113.137 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.815 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . . . -113.9 30.79 6.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.96 0.886 . . . . 1.19 109.436 -178.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.596 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 9.3 pt20 -114.6 -157.42 0.63 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.432 -1.258 . . . . 1.66 109.448 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.5 t -48.26 127.29 12.53 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.181 0.515 . . . . 1.65 110.47 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.57 ' HG2' ' HB3' ' A' ' 40' ' ' SER . 51.1 mtt -50.19 -25.48 3.65 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.129 -0.941 . . . . 1.5 112.252 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -56.16 -37.44 69.53 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.106 0.254 . . . . 2.56 110.731 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.0 m -81.91 -46.1 14.53 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.916 0.388 . . . . 1.41 110.493 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.549 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -63.64 -46.49 85.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.665 -0.698 . . . . 1.13 112.101 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.0 mt -68.44 -37.25 80.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.558 -0.292 . . . . 1.52 110.639 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -61.76 -42.41 98.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.144 0.497 . . . . 2.67 110.182 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.1 88.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.779 -0.646 . . . . 1.07 110.94 178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.8 tp -65.13 -40.87 95.06 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.138 -0.483 . . . . 1.64 110.035 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.36 74.33 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.101 -0.954 . . . . 1.17 110.234 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.82 -49.06 77.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.618 -0.719 . . . . 3.81 111.732 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -67.45 -19.27 65.34 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.518 0.562 . . . . 1.76 112.518 -172.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.9 p -115.01 2.62 14.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.187 0.518 . . . . 1.26 111.003 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 t70 48.46 52.07 14.25 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.694 -1.139 . . . . 2.11 110.769 -174.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.9 p -111.71 159.46 18.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.659 -0.701 . . . . 1.35 111.163 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -103.35 109.47 21.1 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.542 -0.753 . . . . 2.97 109.106 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.6 mt -102.77 121.14 41.85 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.936 0.398 . . . . 2.15 110.392 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.446 ' HB3' ' HA ' ' A' ' 72' ' ' THR . 1.8 tm? -103.26 107.67 18.58 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.391 -0.966 . . . . 2.63 108.391 178.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -142.67 154.22 44.13 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.127 -0.488 . . . . 1.29 110.083 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 t -100.19 111.62 62.65 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.304 -0.407 . . . . 2.08 110.609 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.01 -28.2 87.21 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.946 2.431 . . . . 1.66 111.712 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -75.73 -27.18 58.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.879 -0.6 . . . . 2.96 111.291 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -88.5 -19.93 25.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.598 0.237 . . . . 2.22 111.571 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.47 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 23.0 pt -92.26 -18.87 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.838 -0.43 . . . . 1.49 109.838 174.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.24 2.75 20.96 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.936 -0.574 . . . . 1.4 113.368 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.82 39.91 38.02 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.912 -0.661 . . . . 1.1 112.346 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 3.9 pp -92.41 172.69 8.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.604 -0.517 . . . . 2.2 109.604 178.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.596 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 8.8 ptp180 -82.44 137.65 34.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.345 0.593 . . . . 4.32 111.949 -174.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.57 ' HB3' ' HG2' ' A' ' 13' ' ' MET . 11.1 p -88.06 166.68 14.27 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.009 -0.996 . . . . 0.66 110.645 175.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 m -85.95 115.41 23.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.768 -0.651 . . . . 1.91 109.82 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.815 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . . . -61.21 105.88 0.55 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.869 -0.605 . . . . 1.41 111.316 -177.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.9 tp -110.91 82.94 1.67 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.205 -0.665 . . . . 2.06 109.205 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.645 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 23.5 pttm -103.53 110.41 22.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.842 -0.617 . . . . 2.89 111.134 -174.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.52 -162.28 34.03 Favored Glycine 0 N--CA 1.453 -0.228 0 CA-C-N 115.638 -0.71 . . . . 0.43 111.829 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -93.35 108.15 19.86 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.062 -0.718 . . . . 3.73 109.062 176.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -138.65 151.26 47.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.879 0.371 . . . . 2.6 110.933 -174.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -84.75 161.93 19.82 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.797 -0.816 . . . . 1.86 108.797 171.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.513 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 58.7 tp -56.71 -52.05 66.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.947 0.403 . . . . 1.74 110.401 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -58.23 -43.52 87.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.661 -0.699 . . . . 2.89 110.908 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.2 m -62.26 -46.45 88.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.98 -0.555 . . . . 1.62 110.818 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.9 m -60.13 -45.09 94.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 1.66 110.875 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 92.9 mt -60.88 -49.47 77.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.54 . . . . 1.3 111.425 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.47 -42.14 95.59 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.429 0.529 . . . . 3.91 112.429 -174.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.8 -41.21 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.946 -0.302 . . . . 1.86 110.954 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 tt -71.09 -35.91 72.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.355 0.598 . . . . 2.18 109.913 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.756 HD21 ' HD2' ' A' ' 64' ' ' TYR . 12.6 tp -72.68 -15.71 61.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.529 -0.76 . . . . 2.71 111.266 -177.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -56.3 -34.33 66.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.861 -0.608 . . . . 2.3 111.694 -176.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -116.44 11.89 16.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.248 -0.977 . . . . 1.62 113.346 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.565 ' HG1' ' HA ' ' A' ' 57' ' ' LEU . 20.4 p -102.95 -7.85 21.14 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.567 0.58 . . . . 1.76 112.567 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.89 19.05 35.31 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 121.265 -0.493 . . . . 1.5 114.177 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.8 mt -105.98 179.87 4.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.946 0.373 . . . . 1.77 110.392 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.497 ' HA ' HD22 ' A' ' 57' ' ' LEU . 26.5 mmt180 -129.37 163.15 26.4 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.796 -0.446 . . . . 4.83 109.796 178.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.756 ' HD2' HD21 ' A' ' 57' ' ' LEU . 45.7 p90 -124.93 130.68 52.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.206 0.527 . . . . 1.93 111.321 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -107.61 112.72 25.59 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.144 -0.688 . . . . 3.17 109.144 171.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.8 tt -115.58 129.77 71.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.263 0.554 . . . . 1.84 111.452 -173.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -144.38 115.34 7.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.915 -0.584 . . . . 2.29 109.594 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.61 -104.16 0.88 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.711 -0.757 . . . . 1.45 112.017 -175.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -122.72 13.92 10.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.309 0.576 . . . . 2.97 109.659 175.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.6 m -103.29 126.64 50.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.729 -0.668 . . . . 1.38 110.135 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -125.61 120.16 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.836 -0.62 . . . . 1.33 109.992 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.446 ' HA ' ' HB3' ' A' ' 29' ' ' LEU . 59.0 m -109.91 116.1 31.02 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.276 -0.42 . . . . 1.36 110.126 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.1 t -81.37 122.01 35.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.377 -0.601 . . . . 1.42 109.377 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.321 -0.648 0 CA-C-O 120.972 0.415 . . . . 2.29 110.855 -173.924 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 . . . . . 0 CA--C 1.517 -0.309 0 CA-C-O 121.428 0.633 . . . . 1.99 111.079 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.401 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 24.8 m-90 -109.71 138.15 46.49 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.042 -0.981 . . . . 1.52 109.23 176.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -90.72 97.04 10.94 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.415 -0.957 . . . . 1.82 108.415 175.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.7 mt -102.04 157.02 17.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.057 -0.974 . . . . 1.28 111.488 -170.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -141.07 98.94 3.48 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.458 -0.941 . . . . 2.12 108.458 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 94.2 mt -108.18 122.81 39.44 Favored Pre-proline 0 C--N 1.315 -0.893 0 CA-C-N 115.467 -0.788 . . . . 1.57 111.048 -173.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 49.0 Cg_exo -59.84 156.45 38.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 123.896 3.064 . . . . 0.46 114.018 -177.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HB1' ' HB2' ' A' ' 42' ' ' ALA . . . -104.62 32.56 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.005 -0.998 . . . . 1.19 109.148 173.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -100.46 -155.56 0.52 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.473 -1.24 . . . . 1.66 109.079 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 m -53.56 137.85 35.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.17 0.51 . . . . 1.65 110.331 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 51.3 tpp -49.97 -29.3 8.23 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.024 -0.989 . . . . 1.5 111.526 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -54.65 -40.77 69.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.693 -0.685 . . . . 2.56 111.16 176.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.6 m -75.95 -38.61 57.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.577 0.227 . . . . 1.41 110.607 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.423 ' HB1' ' OG ' ' A' ' 40' ' ' SER . . . -57.74 -51.01 71.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 1.13 110.755 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.65 -43.37 84.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.884 -0.598 . . . . 1.52 110.639 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.531 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 34.5 tt0 -59.81 -45.55 92.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.119 -0.491 . . . . 2.67 110.543 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.16 -35.01 78.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 1.07 110.976 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.6 tp -65.5 -42.13 92.44 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.9 0.381 . . . . 1.64 110.768 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.03 -46.27 88.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.587 -0.733 . . . . 1.17 110.631 -175.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 25.4 mtpp -63.83 -34.61 78.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.23 -0.896 . . . . 3.81 111.335 -178.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -86.72 -23.85 25.38 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.782 0.66 . . . . 1.76 112.782 -172.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.8 p -113.65 6.68 17.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.177 -0.609 . . . . 1.26 112.22 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 57.51 35.79 26.21 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.138 -0.483 . . . . 2.11 111.539 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.6 p -103.31 159.65 15.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.049 0.452 . . . . 1.35 111.782 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -103.58 119.09 38.2 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.212 -0.662 . . . . 2.97 109.212 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.482 HD21 ' HB ' ' A' ' 71' ' ' VAL . 65.2 mt -107.66 122.3 46.43 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.362 0.601 . . . . 2.15 111.589 -173.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.44 ' O ' ' HA ' ' A' ' 72' ' ' THR . 1.1 tm? -110.53 93.82 4.69 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 107.515 -1.291 . . . . 2.63 107.515 174.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.529 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 40.3 p90 -117.6 162.8 17.42 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.186 -0.461 . . . . 1.29 110.53 -174.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.403 ' CB ' ' HB3' ' A' ' 34' ' ' ASP . 23.5 m -106.25 95.28 11.05 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.503 -0.771 . . . . 2.08 110.476 -178.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.529 ' HD3' ' O ' ' A' ' 30' ' ' TYR . 17.1 Cg_exo -66.72 -37.13 22.13 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.756 2.304 . . . . 1.66 112.273 -177.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.07 -30.11 63.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.189 0.518 . . . . 2.96 109.848 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.403 ' HB3' ' CB ' ' A' ' 31' ' ' SER . 25.5 t70 -80.34 -18.06 50.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.446 -0.797 . . . . 2.22 111.598 -176.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.46 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 45.2 pt -90.64 -20.37 6.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.093 -0.643 . . . . 1.49 110.1 177.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.16 32.64 72.02 Favored Glycine 0 C--N 1.334 0.424 0 CA-C-N 115.288 -0.869 . . . . 1.4 114.045 169.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.78 87.08 0.55 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.838 -0.696 . . . . 1.1 112.505 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.2 mt -119.51 159.03 25.1 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.163 -0.31 . . . . 2.2 110.163 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.39 139.87 49.62 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.517 -0.549 . . . . 4.32 109.517 170.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.423 ' OG ' ' HB1' ' A' ' 16' ' ' ALA . 5.1 p -92.57 159.67 15.38 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.556 -0.747 . . . . 0.66 111.348 -176.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.6 t -88.29 127.03 35.46 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 107.933 -1.136 . . . . 1.91 107.933 170.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.448 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . . . -53.26 110.8 0.59 Allowed 'General case' 0 C--O 1.236 0.362 0 O-C-N 123.642 0.589 . . . . 1.41 111.213 -175.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -110.23 86.0 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.347 -0.982 . . . . 2.06 108.347 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.51 110.89 15.63 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.49 -0.777 . . . . 2.89 110.429 -175.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.72 -163.57 35.52 Favored Glycine 0 N--CA 1.442 -0.96 0 CA-C-N 115.523 -0.762 . . . . 0.43 111.444 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 78.8 mtp180 -102.23 110.42 22.37 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.638 -0.505 . . . . 3.73 109.638 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -144.24 156.96 44.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.492 -0.322 . . . . 2.6 110.488 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.94 162.28 26.1 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.246 -0.65 . . . . 1.86 109.246 173.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.59 -56.02 26.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.677 0.217 . . . . 1.74 111.213 -174.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -58.32 -40.33 81.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.934 0.397 . . . . 2.89 111.143 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.463 ' O ' HG13 ' A' ' 55' ' ' ILE . 4.3 m -61.83 -45.85 92.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.74 -0.664 . . . . 1.62 110.775 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -61.05 -41.11 95.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.037 -0.528 . . . . 1.66 110.953 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 97.8 mt -64.72 -39.99 94.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.064 -0.516 . . . . 1.3 110.816 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -65.19 -39.26 92.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.975 -0.557 . . . . 3.91 111.144 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 51' ' ' SER . 67.8 mt -64.42 -52.47 54.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.654 0.264 . . . . 1.86 111.232 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.79 -38.34 81.63 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.292 0.478 . . . . 2.18 112.292 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.432 ' HA ' ' OG1' ' A' ' 60' ' ' THR . 8.4 mp -104.37 11.63 34.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.292 0.478 . . . . 2.71 112.292 -174.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -56.37 -44.1 79.83 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.618 0.599 . . . . 2.3 112.618 -177.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.28 16.29 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.06 -1.067 . . . . 1.62 113.271 -173.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.432 ' OG1' ' HA ' ' A' ' 57' ' ' LEU . 11.8 p -96.17 2.23 52.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.867 0.365 . . . . 1.76 111.617 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.68 22.3 63.89 Favored Glycine 0 C--N 1.333 0.361 0 C-N-CA 121.139 -0.553 . . . . 1.5 113.285 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.7 mt -100.7 158.94 15.58 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.973 -0.38 . . . . 1.77 109.973 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.481 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 4.5 mmp_? -120.99 127.3 51.65 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.801 0.334 . . . . 4.83 110.196 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -100.42 117.6 34.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.768 -0.651 . . . . 1.93 109.635 177.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.455 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 49.1 tt0 -106.57 115.44 30.2 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 109.505 -0.554 . . . . 3.17 109.505 178.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.3 tt -98.95 114.95 38.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.563 0.697 . . . . 1.84 110.121 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -119.94 99.54 6.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.932 -1.031 . . . . 2.29 109.422 -176.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.52 -103.36 0.67 Allowed Glycine 0 CA--C 1.519 0.296 0 C-N-CA 121.034 -0.603 . . . . 1.45 112.061 -174.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -112.73 9.16 19.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.256 0.551 . . . . 2.97 109.949 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 m -105.73 136.78 44.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.702 -0.681 . . . . 1.38 110.527 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.482 ' HB ' HD21 ' A' ' 28' ' ' LEU . 47.7 t -119.27 122.28 68.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.405 -0.591 . . . . 1.33 109.405 176.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.455 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 15.2 m -103.23 114.96 29.67 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.504 -0.316 . . . . 1.36 110.307 -176.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.6 104.02 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.04 -0.527 . . . . 1.42 110.112 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 115.733 -0.667 . . . . 2.29 110.022 -178.867 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 109.735 -0.468 . . . . 1.99 109.735 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.2 m-90 -118.25 149.34 41.28 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.965 -0.561 . . . . 1.52 110.498 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.6 m -91.51 98.35 11.62 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 108.019 -1.104 . . . . 1.82 108.019 172.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.513 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 76.8 mt -112.12 119.13 37.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.632 -0.713 . . . . 1.28 111.597 -170.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.472 ' HA ' ' HB3' ' A' ' 44' ' ' LYS . 14.3 t70 -95.0 115.86 27.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.261 -0.644 . . . . 2.12 109.261 169.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.623 HD12 HD21 ' A' ' 20' ' ' LEU . 35.1 mm -105.15 120.95 48.08 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-O 120.753 0.311 . . . . 1.57 110.3 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.513 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 32.4 Cg_exo -60.18 146.1 97.06 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 123.166 2.578 . . . . 0.46 112.639 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.45 29.64 4.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.635 0.731 . . . . 1.19 109.816 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -95.17 -156.76 0.53 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.998 -1.001 . . . . 1.66 109.285 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.2 m -53.55 140.73 27.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.034 0.445 . . . . 1.65 110.207 174.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 50.7 tpp -51.14 -33.65 27.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.087 -0.96 . . . . 1.5 111.615 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -55.46 -38.39 68.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 2.56 111.024 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.2 t -70.57 -44.11 68.06 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.919 -0.4 . . . . 1.41 109.919 -176.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.513 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.61 -47.02 85.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.867 -0.606 . . . . 1.13 111.009 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 28' ' ' LEU . 96.3 mt -64.86 -50.35 66.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.971 -0.559 . . . . 1.52 110.999 -178.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -62.25 -37.44 85.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.786 0.327 . . . . 2.67 110.879 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.4 80.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.301 -0.409 . . . . 1.07 110.787 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.623 HD21 HD12 ' A' ' 8' ' ' ILE . 2.7 tm? -66.05 -41.45 90.8 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.352 -0.61 . . . . 1.64 109.352 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.86 -51.55 67.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.47 -0.786 . . . . 1.17 110.199 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -63.29 -51.22 66.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.019 -0.991 . . . . 3.81 111.578 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -72.73 -25.55 61.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.691 . . . . 1.76 112.806 -169.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.16 13.15 21.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.22 0.533 . . . . 1.26 110.941 -176.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 53.15 62.07 2.85 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.744 -1.116 . . . . 2.11 111.189 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.0 p -139.12 165.14 27.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.189 -0.46 . . . . 1.35 111.378 -176.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -110.85 123.11 49.47 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.397 -0.594 . . . . 2.97 109.397 175.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.557 HD23 ' HB ' ' A' ' 71' ' ' VAL . 76.7 mt -120.43 127.07 51.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.099 0.476 . . . . 2.15 111.065 -176.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -107.64 121.77 45.36 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.825 -0.625 . . . . 2.63 109.675 176.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -157.46 151.12 24.06 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.9 -0.591 . . . . 1.29 109.972 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 m -106.47 111.35 64.11 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 116.38 -0.373 . . . . 2.08 110.553 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.95 -23.64 69.12 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.993 2.462 . . . . 1.66 112.464 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -71.55 -40.94 69.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.784 -0.644 . . . . 2.96 111.326 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -88.03 -5.83 58.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.858 -0.61 . . . . 2.22 111.882 -170.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.439 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 29.9 pt -97.3 12.19 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 1.49 110.506 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.35 -6.63 5.57 Favored Glycine 0 CA--C 1.52 0.371 0 CA-C-N 115.64 -0.709 . . . . 1.4 114.686 170.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.42 49.04 21.39 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.253 -0.975 . . . . 1.1 111.088 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 58.9 mt -83.73 173.24 11.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.531 -0.335 . . . . 2.2 110.166 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.52 144.18 46.22 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.794 -0.447 . . . . 4.32 109.794 174.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 p -90.87 160.85 15.5 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.66 -0.7 . . . . 0.66 112.162 -174.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -91.88 134.02 35.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.184 -0.916 . . . . 1.91 109.127 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.19 105.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.41 111.457 -176.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 43' ' ' LEU . 1.3 tm? -115.78 99.61 7.43 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.828 -0.805 . . . . 2.06 108.828 176.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 30.1 pttt -135.92 126.51 27.05 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.343 0.592 . . . . 2.89 111.47 -178.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.61 -162.59 33.57 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 114.891 -1.05 . . . . 0.43 110.654 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.08 97.46 9.95 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.451 -0.574 . . . . 3.73 109.451 177.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -137.48 148.63 46.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.184 -0.462 . . . . 2.6 110.192 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -82.66 179.17 7.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.973 -0.38 . . . . 1.86 109.973 175.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 60.6 tp -58.74 -57.28 13.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.472 -0.331 . . . . 1.74 111.339 -176.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -63.61 -36.99 85.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.496 -0.32 . . . . 2.89 110.911 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.2 t -60.46 -54.31 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.434 -0.348 . . . . 1.62 110.583 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.7 p -61.96 -43.62 98.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.259 -0.428 . . . . 1.66 111.389 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 91.0 mt -60.34 -46.65 89.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.593 -0.276 . . . . 1.3 111.476 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -61.73 -42.11 98.53 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.858 0.318 . . . . 3.91 111.858 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.2 mt -73.49 -45.31 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.679 0.276 . . . . 1.86 111.178 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 tt -68.49 -46.81 68.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 2.18 111.128 -175.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.69 HD13 ' HB2' ' A' ' 62' ' ' LEU . 22.7 tp -71.07 -36.02 72.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.365 -0.38 . . . . 2.71 111.112 -174.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -46.82 111.2 0.36 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.871 -0.604 . . . . 2.3 112.389 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.18 -12.74 21.77 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.693 -0.765 . . . . 1.62 113.373 175.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.0 p -91.82 -8.12 47.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.088 0.444 . . . . 1.76 112.184 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.59 10.23 84.72 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.663 -0.779 . . . . 1.5 113.045 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.69 ' HB2' HD13 ' A' ' 57' ' ' LEU . 64.8 mt -101.05 161.16 13.79 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.964 -0.384 . . . . 1.77 109.964 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 63' ' ' ARG . 49.3 mtt180 -127.34 145.6 50.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.477 -0.329 . . . . 4.83 110.213 177.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -105.9 121.83 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.3 0.571 . . . . 1.93 110.901 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.418 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 6.5 tp-100 -97.45 105.88 18.1 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.471 -0.937 . . . . 3.17 108.471 171.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.7 tt -101.91 124.7 55.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.487 0.661 . . . . 1.84 111.662 -171.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -126.78 88.85 2.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.541 -0.754 . . . . 2.29 109.585 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.6 -98.2 0.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.731 -0.668 . . . . 1.45 112.693 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -113.08 -0.86 14.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.159 0.504 . . . . 2.97 110.543 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.2 m -108.43 132.18 54.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.788 -0.642 . . . . 1.38 109.988 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.557 ' HB ' HD23 ' A' ' 28' ' ' LEU . 50.3 t -128.23 130.25 69.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.77 0.319 . . . . 1.33 110.412 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.418 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 30.2 m -108.44 112.92 25.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.185 -0.461 . . . . 1.36 109.946 178.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -90.29 106.34 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.147 0.498 . . . . 1.42 110.115 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 115.797 -0.638 . . . . 2.29 110.55 -177.875 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 . . . . . 0 C--O 1.235 0.328 0 N-CA-C 109.523 -0.547 . . . . 1.99 109.523 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -129.51 154.55 46.9 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.815 -0.809 . . . . 1.52 108.815 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 5' ' ' THR . 6.9 t -88.16 97.29 10.91 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.043 -1.095 . . . . 1.82 108.043 173.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.724 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 84.0 mt -95.26 94.68 8.02 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.336 -1.302 . . . . 1.28 109.72 -173.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.478 ' HA ' ' CB ' ' A' ' 44' ' ' LYS . 4.7 m-20 -100.93 97.76 8.31 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.826 -1.079 . . . . 2.12 108.663 -178.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.482 HD13 HD13 ' A' ' 20' ' ' LEU . 96.0 mt -109.9 125.05 31.99 Favored Pre-proline 0 C--N 1.313 -1.018 0 CA-C-N 115.227 -0.897 . . . . 1.57 111.472 -169.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.678 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 45.0 Cg_exo -58.02 158.73 20.38 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 124.077 3.184 . . . . 0.46 114.243 -175.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.07 28.94 7.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.787 -1.097 . . . . 1.19 109.434 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.445 HE21 ' HB2' ' A' ' 11' ' ' GLN . 12.2 mt-30 -99.11 -161.79 0.9 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.446 -1.252 . . . . 1.66 109.252 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 p -55.47 137.53 48.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.073 0.463 . . . . 1.65 110.077 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.7 mtt -50.95 -25.28 4.45 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.354 -0.839 . . . . 1.5 112.655 -178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -55.38 -43.36 75.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.635 0.255 . . . . 2.56 110.497 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.4 m -76.69 -44.58 33.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.1 0.476 . . . . 1.41 110.243 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.678 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.45 -50.78 71.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.588 -0.733 . . . . 1.13 111.907 -176.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.51 -39.16 85.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.258 -0.428 . . . . 1.52 110.7 -177.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -65.26 -34.25 77.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.015 0.436 . . . . 2.67 110.735 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -66.89 -38.79 86.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 1.07 110.294 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.482 HD13 HD13 ' A' ' 8' ' ' ILE . 65.2 tp -65.33 -34.69 78.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.826 -0.624 . . . . 1.64 109.74 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.28 95.21 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.415 -0.811 . . . . 1.17 110.248 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -64.5 -47.59 78.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.776 -0.647 . . . . 3.81 110.901 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.633 ' OE1' ' HA ' ' A' ' 6' ' ' LEU . 78.1 mt-30 -65.14 -37.26 86.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.773 -0.649 . . . . 1.76 112.579 -171.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.9 p -110.57 18.0 20.16 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.099 -0.375 . . . . 1.26 111.356 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 40.95 37.56 0.55 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.096 0.958 . . . . 2.11 112.302 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -99.97 167.28 10.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.655 -0.702 . . . . 1.35 111.273 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -106.72 118.83 37.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.806 -0.634 . . . . 2.97 110.024 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.531 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 8.5 mp -115.01 131.79 56.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.207 0.527 . . . . 2.15 110.713 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -107.57 116.84 32.67 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.548 -0.751 . . . . 2.63 109.537 177.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -152.33 142.88 22.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.955 -0.566 . . . . 1.29 109.868 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.9 t -108.14 125.62 31.59 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 116.186 -0.461 . . . . 2.08 109.793 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.33 -28.44 84.73 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.903 2.402 . . . . 1.66 111.89 176.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -71.85 -34.22 69.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 2.96 109.945 176.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -79.64 -26.31 41.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.527 -0.76 . . . . 2.22 111.027 -173.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.466 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 17.8 pt -93.78 -19.3 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.713 0.292 . . . . 1.49 110.831 177.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.58 4.49 65.56 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.066 -0.588 . . . . 1.4 113.423 175.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.2 34.75 19.84 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.594 -0.812 . . . . 1.1 112.217 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 90.1 mt -75.98 143.97 41.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.09 -0.337 . . . . 2.2 110.09 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.432 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 37.7 ptt180 -90.1 137.93 31.93 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.244 0.545 . . . . 4.32 110.326 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 p -88.5 161.19 17.13 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.485 -0.779 . . . . 0.66 111.462 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.1 m -86.54 132.37 33.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.556 -0.747 . . . . 1.91 109.726 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.4 106.16 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.7 -0.682 . . . . 1.41 111.997 -174.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 tt -116.82 93.62 4.27 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.146 -1.057 . . . . 2.06 108.146 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.724 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 21.5 pttp -131.38 121.21 24.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.398 0.618 . . . . 2.89 110.957 -178.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.26 -163.7 35.31 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.583 -0.735 . . . . 0.43 111.678 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -99.95 98.16 8.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.969 0.414 . . . . 3.73 110.094 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -137.74 173.8 11.26 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.089 -0.505 . . . . 2.6 110.186 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -95.43 171.73 8.52 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.057 -0.72 . . . . 1.86 109.057 171.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.18 -56.37 22.37 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.884 0.327 . . . . 1.74 111.884 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -57.81 -49.29 77.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 2.89 112.229 -174.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.6 m -61.79 -39.22 90.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.713 0.292 . . . . 1.62 111.624 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.3 m -61.13 -41.2 96.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.559 -0.291 . . . . 1.66 110.981 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.89 -34.34 77.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 1.3 110.74 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -59.57 -51.01 71.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 3.91 111.02 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.5 mt -80.61 -31.63 12.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.152 -0.476 . . . . 1.86 111.645 -174.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.449 ' HB3' HD23 ' A' ' 57' ' ' LEU . 3.5 tt -65.89 -46.72 77.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.469 -0.332 . . . . 2.18 110.927 -175.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.78 HD13 ' HB2' ' A' ' 62' ' ' LEU . 3.0 mm? -86.16 -18.39 32.37 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 121.092 -0.243 . . . . 2.71 111.03 -177.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -50.19 101.01 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 2.3 111.943 174.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.27 -17.91 26.08 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.553 -0.832 . . . . 1.62 113.582 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.9 p -92.68 -2.64 55.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.277 0.539 . . . . 1.76 111.811 -176.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.5 19.84 67.21 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 121.135 -0.555 . . . . 1.5 113.705 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.78 ' HB2' HD13 ' A' ' 57' ' ' LEU . 59.5 mt -92.22 154.48 18.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.388 -0.478 . . . . 1.77 110.277 -179.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -112.89 125.16 54.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.962 -0.563 . . . . 4.83 109.724 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -113.51 122.97 48.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.244 0.545 . . . . 1.93 111.311 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.438 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 1.2 mp0 -100.26 107.7 19.59 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.957 -0.757 . . . . 3.17 108.957 174.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.5 tt -109.5 125.73 66.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.061 0.458 . . . . 1.84 110.756 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -145.99 122.74 11.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.833 -0.621 . . . . 2.29 109.85 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.55 -108.03 1.65 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.707 . . . . 1.45 112.192 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.3 p-10 -121.45 17.89 11.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.457 0.646 . . . . 2.97 109.996 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 31.5 m -113.93 132.19 56.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.394 -0.821 . . . . 1.38 110.383 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.531 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 47.4 t -128.97 128.81 67.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.209 -0.451 . . . . 1.33 110.046 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.438 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 22.9 m -114.62 119.08 35.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.834 -0.432 . . . . 1.36 109.834 178.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.0 t -113.34 112.99 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.487 -0.324 . . . . 1.42 110.483 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.073 -0.512 . . . . 2.29 110.57 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 109.583 -0.525 . . . . 1.99 109.583 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.525 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 30.1 m-90 -126.45 150.43 48.69 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.488 -0.56 . . . . 1.52 109.488 179.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 m -88.73 99.29 12.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.962 -0.755 . . . . 1.82 108.962 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.613 ' HA ' HE22 ' A' ' 23' ' ' GLN . 70.2 mt -101.49 148.59 25.01 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.863 -0.608 . . . . 1.28 111.65 -170.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -139.1 106.51 5.54 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.275 -1.009 . . . . 2.12 108.275 173.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.455 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 87.0 mt -115.09 125.74 28.61 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.458 -0.792 . . . . 1.57 111.187 -169.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.627 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 47.5 Cg_exo -58.52 156.63 30.55 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.646 2.897 . . . . 0.46 113.708 -177.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.518 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . . . -109.94 22.21 15.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.053 -0.976 . . . . 1.19 109.676 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.494 HE21 ' CB ' ' A' ' 15' ' ' SER . 11.6 pt20 -99.43 -150.9 0.38 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.982 -1.008 . . . . 1.66 109.079 178.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.3 t -51.08 131.96 27.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.163 0.506 . . . . 1.65 110.94 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.408 ' HB3' HD12 ' A' ' 35' ' ' ILE . 46.7 tpp -50.41 -28.37 8.04 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 114.922 -1.036 . . . . 1.5 110.895 178.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -53.51 -42.61 67.52 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.541 -0.754 . . . . 2.56 111.266 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.494 ' CB ' HE21 ' A' ' 11' ' ' GLN . 8.5 m -78.23 -39.23 41.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.834 0.349 . . . . 1.41 110.58 -176.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.627 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -59.29 -45.18 91.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 1.13 111.257 -178.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.3 mt -65.44 -41.11 93.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.124 -0.489 . . . . 1.52 110.985 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -65.58 -37.21 86.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.661 0.267 . . . . 2.67 111.083 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.55 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -65.83 -41.83 91.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 1.07 110.698 178.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 8' ' ' ILE . 67.0 tp -65.73 -35.07 79.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 1.64 110.148 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.0 -58.3 8.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.225 -0.898 . . . . 1.17 111.034 -176.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HB2' ' HZ2' ' A' ' 22' ' ' LYS . 10.1 mtmp? -65.74 -22.14 66.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.957 -0.565 . . . . 3.81 112.034 -176.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.613 HE22 ' HA ' ' A' ' 6' ' ' LEU . 7.9 mt-30 -83.36 -22.58 32.76 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.634 -0.426 . . . . 1.76 111.748 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.6 p -116.54 1.54 12.93 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.758 -0.377 . . . . 1.26 111.886 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.9 t70 57.52 47.06 16.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.485 -0.78 . . . . 2.11 110.344 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 p -114.48 156.26 24.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.771 -0.65 . . . . 1.35 110.89 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -104.09 120.31 40.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.605 -0.517 . . . . 2.97 109.605 177.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mp -110.19 130.5 55.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.173 0.511 . . . . 2.15 110.941 -176.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.8 tp -112.54 111.24 21.92 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.559 -0.746 . . . . 2.63 109.453 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -151.98 151.36 31.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.379 -0.373 . . . . 1.29 110.163 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.431 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 50.6 m -96.21 107.48 35.47 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.463 -0.569 . . . . 2.08 109.463 177.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 31' ' ' SER . 35.6 Cg_exo -59.8 -37.1 88.76 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.54 2.826 . . . . 1.66 113.641 -172.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -79.23 -22.48 44.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.315 0.579 . . . . 2.96 110.523 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -81.69 -15.67 53.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.767 -0.651 . . . . 2.22 110.892 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.408 HD12 ' HB3' ' A' ' 13' ' ' MET . 24.6 pt -97.55 13.78 4.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.179 0.514 . . . . 1.49 109.868 177.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.2 -17.05 1.92 Allowed Glycine 0 C--N 1.334 0.426 0 CA-C-N 115.575 -0.739 . . . . 1.4 114.225 172.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.18 37.78 48.13 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.139 -1.029 . . . . 1.1 111.139 -174.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 pp -84.87 161.77 19.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.533 -0.543 . . . . 2.2 109.533 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.48 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 5.2 ptp180 -80.57 142.38 34.15 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.234 0.54 . . . . 4.32 111.048 -177.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.4 p -89.85 160.11 16.64 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.183 -0.917 . . . . 0.66 110.553 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -87.64 124.67 33.78 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.099 -0.704 . . . . 1.91 109.099 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 10' ' ' ALA . . . -56.82 108.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.831 -0.622 . . . . 1.41 111.434 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.9 tp -111.27 87.24 2.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.45 0.643 . . . . 2.06 109.627 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -115.93 117.56 30.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.651 -0.704 . . . . 2.89 110.56 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.58 -163.58 34.91 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.204 -0.758 . . . . 0.43 111.204 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 38.4 ttp180 -115.62 103.06 10.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 117.406 0.603 . . . . 3.73 109.768 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -142.83 171.75 13.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.817 0.341 . . . . 2.6 111.183 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -72.35 164.63 26.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.487 -0.779 . . . . 1.86 110.249 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.486 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 64.2 tp -60.71 -58.32 8.96 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.103 0.478 . . . . 1.74 110.006 176.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -61.9 -34.32 75.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.428 -0.805 . . . . 2.89 111.185 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.2 t -62.28 -49.99 73.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.264 -0.425 . . . . 1.62 110.25 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.6 m -61.64 -42.25 98.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 1.66 111.106 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 96.0 mt -56.89 -44.33 82.2 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.866 0.365 . . . . 1.3 110.767 177.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 54' ' ' ARG . 41.5 ttp180 -60.29 -47.28 86.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.98 -0.555 . . . . 3.91 111.149 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.4 mt -64.18 -47.13 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.788 0.328 . . . . 1.86 111.503 -178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.52 ' HB3' HD11 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -69.25 -35.4 76.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.916 0.389 . . . . 2.18 110.912 -176.086 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.52 HD11 ' HB3' ' A' ' 56' ' ' LEU . 8.4 mp -106.49 20.86 18.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.721 -0.218 . . . . 2.71 111.54 -177.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -52.25 -38.57 58.53 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.334 0.494 . . . . 2.3 112.334 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -164.18 34.02 0.28 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.658 -0.782 . . . . 1.62 112.313 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.457 ' OG1' ' HA ' ' A' ' 57' ' ' LEU . 2.1 p -88.17 -0.49 57.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.886 0.374 . . . . 1.76 111.552 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.18 1.87 86.1 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.761 -0.733 . . . . 1.5 112.093 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.72 150.19 22.56 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.919 -0.4 . . . . 1.77 109.919 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.727 ' HB2' HG21 ' A' ' 74' ' ' THR . 49.7 mtp180 -117.76 138.37 52.09 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.094 -0.503 . . . . 4.83 109.913 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.402 ' HB3' HD23 ' A' ' 57' ' ' LEU . 34.7 p90 -103.26 117.36 34.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.529 0.68 . . . . 1.93 111.057 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.536 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 26.4 tt0 -108.01 113.42 26.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.327 -0.851 . . . . 3.17 109.433 174.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.4 tt -99.89 126.29 53.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.429 0.633 . . . . 1.84 110.553 -177.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -134.39 101.86 5.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.404 -0.816 . . . . 2.29 109.761 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.04 -105.52 0.79 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.913 -0.66 . . . . 1.45 112.381 -175.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -110.03 9.2 24.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.027 0.442 . . . . 2.97 110.32 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.5 m -108.1 134.38 51.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.807 -0.633 . . . . 1.38 111.127 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.9 t -112.57 112.83 42.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.77 -0.826 . . . . 1.33 108.77 175.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.536 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 9.2 m -101.18 116.86 33.81 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 110.06 -0.348 . . . . 1.36 110.06 -176.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.3 t -98.68 112.7 31.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.016 -0.538 . . . . 1.42 110.077 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . 0.727 HG21 ' HB2' ' A' ' 63' ' ' ARG . 1.9 t . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 116.011 -0.541 . . . . 2.29 109.905 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.536 -0.542 . . . . 1.99 109.536 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.519 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 26.3 m-90 -126.35 148.53 49.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.755 0.312 . . . . 1.52 111.155 -172.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.8 m -89.73 103.89 16.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.663 -0.866 . . . . 1.82 108.663 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.519 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 34.9 mt -117.87 118.13 31.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.867 -0.606 . . . . 1.28 111.03 -171.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -95.62 98.59 10.61 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.739 -0.837 . . . . 2.12 108.739 171.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 41.8 mm -101.13 120.13 56.01 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.108 -0.496 . . . . 1.57 111.154 -173.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.489 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 49.1 Cg_exo -58.89 157.99 26.57 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.694 2.929 . . . . 0.46 113.546 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.55 ' HB3' ' HB1' ' A' ' 42' ' ' ALA . . . -116.72 32.01 6.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.334 -0.848 . . . . 1.19 109.599 178.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -99.62 -148.08 0.35 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.637 -1.165 . . . . 1.66 108.815 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -52.37 130.34 30.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.998 0.427 . . . . 1.65 110.632 174.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.3 tpp -50.37 -31.68 15.38 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.248 -0.887 . . . . 1.5 111.262 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.64 -40.55 65.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.311 -0.859 . . . . 2.56 110.532 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 m -75.49 -41.8 54.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.117 -0.492 . . . . 1.41 110.318 -176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.489 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.49 -45.32 93.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.789 -0.641 . . . . 1.13 111.357 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.29 -47.41 76.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.356 -0.384 . . . . 1.52 110.956 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -61.88 -39.64 92.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.306 -0.406 . . . . 2.67 110.363 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.62 88.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 1.07 110.955 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.424 ' CD1' HD11 ' A' ' 6' ' ' LEU . 64.5 tp -67.21 -42.15 84.58 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.595 0.712 . . . . 1.64 110.09 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.83 -52.81 61.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.556 -1.202 . . . . 1.17 110.346 -178.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.19 -41.34 96.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.374 -0.83 . . . . 3.81 111.63 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -76.41 -10.32 59.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.335 0.495 . . . . 1.76 112.335 -174.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.6 p -115.72 1.53 13.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.335 0.588 . . . . 1.26 110.27 173.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.0 t0 51.48 43.09 29.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.623 -1.171 . . . . 2.11 111.051 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -104.38 173.72 6.18 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.579 -0.737 . . . . 1.35 109.886 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -110.15 114.97 28.9 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.542 -0.54 . . . . 2.97 109.542 177.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 7.8 mp -109.5 122.46 47.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.108 0.48 . . . . 2.15 110.433 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 tt -106.27 117.57 34.38 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.467 -0.788 . . . . 2.63 109.463 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -150.29 148.07 28.41 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.787 -0.819 . . . . 1.29 108.787 177.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.3 t -102.63 112.83 65.98 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 116.593 -0.276 . . . . 2.08 110.268 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.14 -48.73 14.12 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 123.775 2.983 . . . . 1.66 114.034 -169.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -73.17 -21.98 60.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.91 0.385 . . . . 2.96 111.289 -175.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.32 -5.3 59.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.133 0.42 . . . . 2.22 112.133 -172.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.413 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 26.9 pt -106.56 7.68 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.931 0.396 . . . . 1.49 110.555 175.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.06 6.5 32.3 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 115.646 -0.706 . . . . 1.4 114.124 173.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.37 47.76 68.53 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.711 -0.757 . . . . 1.1 111.888 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 92.3 mt -82.82 157.73 23.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.053 -0.351 . . . . 2.2 110.053 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.37 146.19 24.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.053 0.454 . . . . 4.32 110.755 176.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 p -87.97 157.45 18.92 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.597 -0.729 . . . . 0.66 111.395 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.9 m -87.88 126.4 35.01 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.23 -0.656 . . . . 1.91 109.23 174.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.55 ' HB1' ' HB3' ' A' ' 10' ' ' ALA . . . -56.3 101.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.446 0.466 . . . . 1.41 111.659 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tt -117.9 91.74 3.65 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.881 -0.785 . . . . 2.06 108.881 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 25.7 pttm -119.72 122.8 42.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.389 0.614 . . . . 2.89 110.612 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.45 -162.98 34.22 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.052 -0.819 . . . . 0.43 111.052 -176.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.519 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 13.2 ttm180 -105.62 97.64 7.45 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.632 -0.507 . . . . 3.73 109.632 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -137.95 149.33 46.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.212 0.53 . . . . 2.6 111.19 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.99 151.67 46.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.891 -1.05 . . . . 1.86 111.032 175.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.71 -58.91 6.29 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.631 0.253 . . . . 1.74 111.344 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -61.26 -37.54 83.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.318 -0.401 . . . . 2.89 110.705 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.4 t -60.94 -46.68 89.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.167 -0.47 . . . . 1.62 109.849 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.8 m -61.16 -43.67 98.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 1.66 110.675 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.29 -36.66 75.97 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.119 -0.492 . . . . 1.3 110.924 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 97.3 mtt180 -69.23 -51.57 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.218 -0.447 . . . . 3.91 111.081 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.2 mm -70.17 -43.22 79.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 111.942 0.349 . . . . 1.86 111.942 -175.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.17 -53.45 53.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.66 -0.246 . . . . 2.18 110.946 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.4 mp -71.23 -27.23 63.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.585 -0.279 . . . . 2.71 111.409 -176.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 53.4 tt0 -49.13 104.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.062 0.545 . . . . 2.3 111.67 178.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.55 -16.97 12.42 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.992 -0.623 . . . . 1.62 112.898 176.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.0 p -94.04 -10.67 32.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.727 0.299 . . . . 1.76 111.799 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.12 12.74 82.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.508 -0.854 . . . . 1.5 113.079 -177.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.9 mt -96.39 150.92 20.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.287 0.543 . . . . 1.77 110.227 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -119.35 135.13 54.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.392 -0.367 . . . . 4.83 110.423 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -100.08 147.45 25.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.063 -0.517 . . . . 1.93 110.511 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.743 HE21 ' HA ' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -128.39 111.37 13.25 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.338 -0.616 . . . . 3.17 109.338 177.198 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.9 tt -103.3 101.52 12.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.674 0.749 . . . . 1.84 110.554 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -119.05 105.49 11.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.347 -0.842 . . . . 2.29 109.665 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.73 -108.07 1.82 Allowed Glycine 0 CA--C 1.518 0.237 0 C-N-CA 121.033 -0.603 . . . . 1.45 112.357 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -112.61 8.8 19.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.275 0.56 . . . . 2.97 110.174 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.7 m -111.17 129.21 56.02 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.626 -0.715 . . . . 1.38 110.649 -176.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.559 ' HA ' ' O ' ' A' ' 65' ' ' GLN . 25.2 t -121.57 123.26 69.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.698 -0.683 . . . . 1.33 109.649 -177.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.517 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 31.4 m -106.05 125.53 51.1 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.519 -0.31 . . . . 1.36 110.349 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.1 t -100.45 95.32 3.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.544 -0.539 . . . . 1.42 109.544 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 115.802 -0.635 . . . . 2.29 110.768 -176.195 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 109.805 -0.443 . . . . 1.99 109.805 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.459 ' HZ3' ' H ' ' A' ' 49' ' ' LEU . 22.2 m-90 -130.45 157.68 41.96 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.221 -0.445 . . . . 1.52 109.88 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 p -89.01 97.62 11.3 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 108.354 -0.98 . . . . 1.82 108.354 171.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.655 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 78.3 mt -111.0 111.48 22.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.485 -0.78 . . . . 1.28 110.887 -170.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.606 ' HA ' ' CB ' ' A' ' 44' ' ' LYS . 22.1 m-20 -95.07 100.66 12.45 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.355 -0.609 . . . . 2.12 109.355 174.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.0 mm -101.7 118.47 59.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.94 -0.573 . . . . 1.57 110.443 -177.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.596 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 35.9 Cg_exo -60.45 149.64 85.28 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.4 2.733 . . . . 0.46 113.047 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.11 29.38 3.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.52 -0.764 . . . . 1.19 109.862 176.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -97.32 -157.6 0.6 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.874 -1.057 . . . . 1.66 108.87 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.3 m -55.35 143.57 28.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.993 0.425 . . . . 1.65 110.594 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.1 tpp -50.61 -29.81 11.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.432 -0.804 . . . . 1.5 111.17 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -54.87 -38.79 67.96 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.028 -0.533 . . . . 2.56 111.054 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.7 t -79.01 -43.66 23.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.113 0.482 . . . . 1.41 109.749 -176.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.596 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -60.59 -48.53 81.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.56 -0.745 . . . . 1.13 111.748 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.71 -48.02 83.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.402 -0.363 . . . . 1.52 111.417 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -65.55 -34.75 78.98 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.183 -0.207 . . . . 2.67 111.521 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.19 92.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.941 0.4 . . . . 1.07 110.498 176.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.83 -39.5 87.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 1.64 110.422 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB1' HD11 ' A' ' 28' ' ' LEU . . . -62.61 -46.07 89.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.424 -0.807 . . . . 1.17 110.249 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -62.68 -40.64 97.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.183 -0.917 . . . . 3.81 111.311 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -80.07 -20.88 44.14 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.114 0.783 . . . . 1.76 113.114 -172.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.0 p -118.42 7.1 11.84 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.471 -0.491 . . . . 1.26 112.165 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.5 t70 51.59 46.85 25.88 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.577 -0.738 . . . . 2.11 111.046 -178.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 p -113.39 161.68 17.0 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.955 -0.566 . . . . 1.35 111.207 -177.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -105.34 124.3 49.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.551 -0.537 . . . . 2.97 109.551 176.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.579 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 10.3 mp -115.15 124.19 50.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.359 0.599 . . . . 2.15 110.752 -177.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -107.23 116.25 31.6 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.25 -0.886 . . . . 2.63 109.097 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -148.16 144.72 27.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.955 0.407 . . . . 1.29 111.053 -175.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.539 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 7.3 m -104.69 118.66 55.88 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.826 -0.625 . . . . 2.08 109.56 176.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.09 -35.98 83.52 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.392 2.728 . . . . 1.66 112.981 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.8 -28.82 62.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.33 0.586 . . . . 2.96 110.559 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.539 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 28.4 t70 -92.21 -1.63 57.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.511 -0.768 . . . . 2.22 110.597 -168.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.0 pt -109.07 -8.48 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.971 -0.559 . . . . 1.49 110.321 176.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.74 10.72 80.39 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 116.042 -0.526 . . . . 1.4 114.156 173.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.17 39.45 97.68 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.973 -0.632 . . . . 1.1 112.537 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.3 mt -79.27 159.79 27.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.63 0.253 . . . . 2.2 110.688 -177.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -108.72 148.17 30.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.984 0.421 . . . . 4.32 110.159 176.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 p -90.35 159.9 16.38 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.726 -0.67 . . . . 0.66 110.466 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 t -89.29 147.12 24.28 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.773 -0.825 . . . . 1.91 108.773 173.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.98 101.86 0.05 Allowed 'General case' 0 C--O 1.233 0.186 0 O-C-N 123.507 0.504 . . . . 1.41 111.568 -176.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 tp -122.56 82.91 2.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.29 -0.633 . . . . 2.06 109.29 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.655 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 17.7 pttp -130.69 111.24 12.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.772 0.796 . . . . 2.89 110.982 -176.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.74 -159.47 30.92 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 114.908 -1.042 . . . . 0.43 110.686 -170.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 46' ' ' ARG . 26.2 mtp180 -85.42 106.39 16.74 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.686 -0.857 . . . . 3.73 108.686 176.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -135.29 143.3 46.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.011 0.434 . . . . 2.6 110.841 -174.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -80.09 146.61 31.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.379 -0.828 . . . . 1.86 109.464 172.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.459 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 62.5 tp -58.04 -57.53 12.42 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.645 0.259 . . . . 1.74 111.117 -173.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -58.69 -41.05 85.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.921 -0.581 . . . . 2.89 110.609 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.426 ' O ' HG13 ' A' ' 55' ' ' ILE . 22.4 m -61.87 -43.79 98.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.723 -0.671 . . . . 1.62 111.165 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 m -59.81 -43.58 94.42 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.848 0.356 . . . . 1.66 110.716 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.92 -42.56 97.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.796 -0.638 . . . . 1.3 110.506 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 51.6 ttp180 -64.1 -47.17 81.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.904 -0.589 . . . . 3.91 110.987 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 51' ' ' SER . 81.4 mt -61.07 -57.01 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.595 0.236 . . . . 1.86 111.28 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.44 -46.95 86.19 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.325 0.491 . . . . 2.18 112.325 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 64' ' ' TYR . 7.1 mp -99.11 17.78 18.99 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.279 0.474 . . . . 2.71 112.279 -174.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 36.3 tt0 -52.39 -59.49 4.36 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.933 0.397 . . . . 2.3 111.894 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.66 34.0 4.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.399 -0.905 . . . . 1.62 112.792 -175.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.6 p -89.81 -4.71 57.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.792 0.296 . . . . 1.76 111.724 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.36 6.05 86.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 1.5 112.338 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.7 mt -102.11 165.87 10.92 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.901 -0.407 . . . . 1.77 109.901 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -110.02 125.78 53.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.29 -0.414 . . . . 4.83 110.267 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.411 ' HB3' HD21 ' A' ' 57' ' ' LEU . 12.3 p90 -100.09 116.17 31.49 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.156 -0.683 . . . . 1.93 109.156 170.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.577 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 28.8 tt0 -113.35 111.22 21.63 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.537 -0.756 . . . . 3.17 110.567 -177.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.2 tt -108.72 128.03 64.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.102 0.477 . . . . 1.84 110.447 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -143.57 116.44 8.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.836 -0.62 . . . . 2.29 109.389 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.87 -108.96 2.48 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.9 -0.666 . . . . 1.45 111.508 -174.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -123.31 19.15 9.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.434 0.635 . . . . 2.97 109.654 175.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.1 m -109.8 132.97 53.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.23 -0.895 . . . . 1.38 110.006 179.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.579 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 22.8 t -118.6 129.0 75.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.88 -0.6 . . . . 1.33 109.729 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.577 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 6.3 m -114.66 123.89 50.45 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.859 -0.423 . . . . 1.36 109.859 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.6 t -112.53 102.12 13.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.063 0.459 . . . . 1.42 110.118 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.861 -0.608 . . . . 2.29 110.216 -177.537 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 N--CA 1.45 -0.454 0 CA-C-O 120.934 0.397 . . . . 1.99 110.349 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.531 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 26.3 m-90 -134.82 158.59 43.81 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.925 -0.58 . . . . 1.52 109.681 -177.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 m -100.69 98.2 8.77 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.989 -1.115 . . . . 1.82 107.989 174.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.558 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 78.5 mt -97.4 127.05 43.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.956 -0.565 . . . . 1.28 111.713 -168.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.515 ' HA ' ' HD3' ' A' ' 44' ' ' LYS . 50.7 t0 -98.5 97.53 8.84 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.74 -0.837 . . . . 2.12 108.74 173.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.484 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 44.9 mm -103.61 124.26 38.57 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.156 -0.474 . . . . 1.57 110.593 -176.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.663 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 35.4 Cg_exo -62.24 155.76 54.79 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 123.344 2.696 . . . . 0.46 112.721 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.728 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . . . -108.74 19.85 19.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.589 0.709 . . . . 1.19 109.93 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -98.8 -157.79 0.63 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.085 -0.962 . . . . 1.66 109.327 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.5 t -49.7 132.43 21.78 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.819 0.342 . . . . 1.65 110.389 178.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.438 ' HG2' ' HG ' ' A' ' 17' ' ' LEU . 51.6 ttm -53.58 -22.77 9.13 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.572 -0.74 . . . . 1.5 111.271 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -50.47 -48.71 56.56 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.7 -0.682 . . . . 2.56 110.69 172.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.0 m -75.67 -36.15 60.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.942 0.401 . . . . 1.41 110.558 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.663 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.7 -53.47 53.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 1.13 112.387 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.438 ' HG ' ' HG2' ' A' ' 13' ' ' MET . 91.1 mt -64.17 -41.82 96.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.756 0.312 . . . . 1.52 110.971 -176.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -64.46 -34.26 77.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.395 -0.366 . . . . 2.67 110.866 177.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.04 -43.53 82.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.444 -0.344 . . . . 1.07 110.841 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.66 -40.29 95.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 1.64 110.65 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.751 ' HB1' HD21 ' A' ' 28' ' ' LEU . . . -62.47 -52.58 62.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.279 -0.873 . . . . 1.17 110.411 -177.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -64.44 -30.38 71.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.36 -0.836 . . . . 3.81 111.73 -176.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -79.61 -22.67 43.36 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.085 0.402 . . . . 1.76 112.085 -176.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.0 p -116.98 10.48 14.02 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.937 -0.305 . . . . 1.26 111.589 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 56.67 35.74 26.61 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.739 -0.664 . . . . 2.11 110.967 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.422 ' OG1' ' HA ' ' A' ' 21' ' ' ALA . 18.2 p -105.84 177.9 4.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.136 0.493 . . . . 1.35 111.66 -175.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -123.56 126.02 45.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.499 -0.773 . . . . 2.97 109.898 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.751 HD21 ' HB1' ' A' ' 21' ' ' ALA . 3.4 mm? -105.95 120.55 42.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.747 0.308 . . . . 2.15 110.572 179.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.3 mt -108.2 110.29 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.536 -0.542 . . . . 2.63 109.536 175.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -156.27 163.42 39.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.319 -0.401 . . . . 1.29 110.318 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.441 ' HB2' ' OD2' ' A' ' 34' ' ' ASP . 14.0 m -121.23 140.96 32.08 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 109.368 -0.604 . . . . 2.08 109.368 175.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.419 ' HA ' HG12 ' A' ' 35' ' ' ILE . 31.6 Cg_exo -59.5 -22.24 65.51 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.956 2.437 . . . . 1.66 112.475 -177.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -73.89 -14.52 61.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.987 -0.551 . . . . 2.96 111.461 178.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' OD2' ' HB2' ' A' ' 31' ' ' SER . 38.3 m-20 -91.81 -16.4 26.84 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.107 0.48 . . . . 2.22 109.713 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.731 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 26.8 pt -107.18 -11.78 10.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.776 -0.647 . . . . 1.49 110.805 -173.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.3 5.73 29.86 Favored Glycine 0 CA--C 1.52 0.384 0 CA-C-N 116.24 -0.436 . . . . 1.4 113.937 173.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.574 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 66.56 35.92 90.66 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.932 -0.651 . . . . 1.1 112.473 -178.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.731 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 2.6 pp -103.4 170.18 8.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.026 0.441 . . . . 2.2 110.722 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -93.7 139.2 31.09 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.841 -0.618 . . . . 4.32 110.581 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.4 p -88.04 168.25 12.98 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.238 -0.892 . . . . 0.66 110.953 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.7 m -86.72 129.33 34.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.884 -0.598 . . . . 1.91 109.632 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.728 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . . . -57.08 103.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.8 -0.636 . . . . 1.41 111.222 -177.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.55 84.22 2.15 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.161 -0.681 . . . . 2.06 109.161 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.558 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 19.9 ttpt -114.67 103.87 11.42 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.85 -0.614 . . . . 2.89 110.288 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.29 -163.51 21.29 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 115.292 -0.867 . . . . 0.43 111.123 -177.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 39.9 ttm180 -124.18 103.94 8.55 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.912 0.387 . . . . 3.73 110.396 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -141.14 171.51 13.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.789 -0.641 . . . . 2.6 109.591 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -70.05 170.12 12.05 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.945 -0.391 . . . . 1.86 109.945 172.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 60.7 tp -59.25 -58.09 10.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.778 0.323 . . . . 1.74 110.719 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -62.1 -35.48 78.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.911 -0.586 . . . . 2.89 110.928 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.444 ' O ' HG12 ' A' ' 55' ' ' ILE . 44.8 t -62.14 -51.78 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.859 -0.61 . . . . 1.62 110.427 178.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -60.96 -41.44 96.35 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.182 -0.463 . . . . 1.66 111.105 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 97.0 mt -57.77 -46.05 85.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.505 . . . . 1.3 111.471 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -67.08 -47.36 71.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.406 . . . . 3.91 111.08 -175.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 51' ' ' SER . 45.8 mm -60.49 -30.07 45.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.283 -0.417 . . . . 1.86 111.358 -176.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -84.5 -62.92 1.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.297 -0.41 . . . . 2.18 111.331 -177.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.414 HD23 ' HB3' ' A' ' 64' ' ' TYR . 8.5 mp -70.47 -29.97 66.66 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.878 0.695 . . . . 2.71 112.878 -169.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -49.72 -46.31 50.08 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.956 0.408 . . . . 2.3 111.387 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.77 -27.54 73.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.89 -0.671 . . . . 1.62 112.798 -176.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.9 p -92.89 17.75 10.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.309 0.485 . . . . 1.76 112.309 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.72 40.98 95.6 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 121.328 -0.463 . . . . 1.5 113.933 174.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.5 mt -127.82 164.22 22.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.996 0.398 . . . . 1.77 110.217 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -113.23 127.34 56.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.015 -0.365 . . . . 4.83 110.015 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.414 ' HB3' HD23 ' A' ' 57' ' ' LEU . 17.7 p90 -100.6 120.15 39.61 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.172 0.511 . . . . 1.93 110.374 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.404 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 33.7 tt0 -103.91 110.46 22.6 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.803 -0.443 . . . . 3.17 109.803 171.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.9 tt -100.56 123.7 53.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.1 -0.5 . . . . 1.84 110.426 -177.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -136.85 105.52 5.84 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.608 -0.516 . . . . 2.29 109.608 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.26 -109.97 3.15 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.988 -0.625 . . . . 1.45 112.255 -174.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -112.91 7.76 18.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.186 0.517 . . . . 2.97 109.663 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.2 m -107.48 130.82 54.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.462 -0.79 . . . . 1.38 110.429 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.554 ' HB ' HD13 ' A' ' 28' ' ' LEU . 40.0 t -117.89 125.3 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.152 -0.477 . . . . 1.33 109.732 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.404 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 19.3 m -108.34 116.8 32.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.322 -0.399 . . . . 1.36 110.212 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.4 t -88.21 115.69 28.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.178 -0.465 . . . . 1.42 110.089 179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 115.913 -0.585 . . . . 2.29 110.142 -178.879 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.475 ' HB3' ' HG2' ' A' ' 46' ' ' ARG . 40.7 mt-10 . . . . . 0 N--CA 1.446 -0.655 0 CA-C-O 121.095 0.474 . . . . 1.99 110.098 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.471 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 20.5 m-90 -127.94 153.52 46.6 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.787 -0.642 . . . . 1.52 109.613 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.5 m -91.06 97.67 11.31 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.293 -1.003 . . . . 1.82 108.293 174.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.502 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 89.2 mt -95.42 107.73 19.89 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.883 -0.599 . . . . 1.28 110.881 -173.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -93.25 97.71 10.8 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.653 -0.869 . . . . 2.12 108.653 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.6 mm -107.51 119.45 50.6 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.492 -0.776 . . . . 1.57 110.502 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.587 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 31.4 Cg_exo -60.9 145.38 99.13 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.093 2.528 . . . . 0.46 113.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.569 ' HB1' ' HB3' ' A' ' 42' ' ' ALA . . . -97.2 27.28 4.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.389 -0.823 . . . . 1.19 109.953 176.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -93.8 -155.21 0.44 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.98 -1.009 . . . . 1.66 109.047 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 m -53.2 137.75 33.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.079 0.466 . . . . 1.65 110.353 175.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.429 ' HB3' HD12 ' A' ' 35' ' ' ILE . 58.5 tpp -47.96 -31.56 5.42 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.073 -0.967 . . . . 1.5 111.924 -178.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -56.67 -41.65 77.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.965 -0.561 . . . . 2.56 111.864 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 m -72.03 -40.91 68.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.99 0.424 . . . . 1.41 110.156 -176.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.587 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.75 -50.79 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.652 -0.703 . . . . 1.13 111.784 -179.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.16 -39.88 86.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.471 -0.331 . . . . 1.52 111.118 -176.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -62.98 -36.59 84.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.175 0.512 . . . . 2.67 110.468 176.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.85 91.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.811 -0.631 . . . . 1.07 110.514 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.551 HD22 HD21 ' A' ' 28' ' ' LEU . 59.6 tp -66.1 -38.89 89.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.221 0.534 . . . . 1.64 110.014 -179.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.61 -48.12 82.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.354 -0.839 . . . . 1.17 110.387 -177.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -66.11 -46.27 78.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.88 -1.054 . . . . 3.81 111.47 177.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.84 -42.16 99.63 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.19 0.811 . . . . 1.76 113.19 -173.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 p -109.93 8.96 24.48 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.428 -0.509 . . . . 1.26 112.334 -174.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.6 t70 54.28 59.29 4.28 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.817 0.818 . . . . 2.11 110.532 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.12 159.82 39.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.912 -0.585 . . . . 1.35 109.881 -178.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -106.36 125.72 51.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.874 -0.417 . . . . 2.97 109.874 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.725 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 8.7 mp -116.19 123.64 48.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.29 -0.414 . . . . 2.15 110.332 -177.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 29' ' ' LEU . 3.9 mm? -108.59 119.33 39.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.044 -0.526 . . . . 2.63 110.057 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.548 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 49.9 p90 -151.67 151.86 32.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.078 -0.51 . . . . 1.29 110.186 179.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.57 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 4.1 m -96.69 118.84 64.77 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.026 -0.534 . . . . 2.08 109.654 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 31' ' ' SER . 32.4 Cg_exo -58.97 -28.83 88.88 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.036 2.49 . . . . 1.66 112.69 -176.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -75.75 -23.54 56.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.871 -0.604 . . . . 2.96 111.132 177.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.57 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 3.4 m-20 -98.53 -0.18 43.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.74 0.274 . . . . 2.22 111.74 -172.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.525 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 34.3 pt -98.78 6.47 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.873 -0.417 . . . . 1.49 109.873 178.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.23 8.02 21.8 Favored Glycine 0 C--N 1.331 0.265 0 CA-C-N 115.478 -0.783 . . . . 1.4 114.438 172.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.99 36.01 71.67 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 121.088 -0.577 . . . . 1.1 112.344 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 4.1 pp -97.47 166.09 11.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.53 0.205 . . . . 2.2 110.621 -175.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -89.91 142.49 27.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.178 0.513 . . . . 4.32 110.22 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 p -83.38 160.66 21.57 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.46 -0.791 . . . . 0.66 111.923 -174.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.2 t -89.5 103.44 16.08 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.373 -0.973 . . . . 1.91 108.373 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.569 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . . . -55.82 118.76 4.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.554 -0.748 . . . . 1.41 112.333 -173.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.53 84.74 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.941 -1.133 . . . . 2.06 107.941 173.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 59.6 tttp -108.49 102.62 11.69 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.186 -0.916 . . . . 2.89 110.282 -173.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.92 -163.76 34.9 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.562 -0.828 . . . . 0.43 112.422 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.475 ' HG2' ' HB3' ' A' ' 3' ' ' GLU . 20.1 ttp180 -107.93 99.56 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.547 -0.538 . . . . 3.73 109.547 -178.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -139.29 168.21 20.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.868 0.366 . . . . 2.6 111.012 -178.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.54 169.55 17.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.46 -0.791 . . . . 1.86 109.251 171.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.14 -58.7 7.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.768 0.318 . . . . 1.74 110.876 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -64.99 -30.98 72.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 2.89 112.029 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -60.85 -50.81 71.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.247 0.546 . . . . 1.62 109.912 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 m -61.89 -45.24 94.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.505 -0.771 . . . . 1.66 110.825 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.505 HD12 HD12 ' A' ' 66' ' ' ILE . 13.4 mt -55.88 -48.68 75.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.083 -0.508 . . . . 1.3 111.844 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -60.53 -49.03 79.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.399 -0.364 . . . . 3.91 111.409 -177.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.5 mt -72.83 -34.45 46.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.754 0.312 . . . . 1.86 111.459 -174.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 tt -71.12 -49.68 41.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.516 -0.311 . . . . 2.18 110.696 -177.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.89 ' HG ' ' HB3' ' A' ' 64' ' ' TYR . 4.5 mm? -77.02 -36.89 55.89 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.188 0.44 . . . . 2.71 112.188 -173.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -50.0 110.09 0.36 Allowed 'General case' 0 C--O 1.236 0.362 0 O-C-N 123.219 0.324 . . . . 2.3 111.616 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.64 65.73 1.49 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.986 -0.626 . . . . 1.62 112.234 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.8 p -144.43 -33.59 0.39 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.005 0.431 . . . . 1.76 110.898 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 112.14 -15.8 25.38 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.685 -0.966 . . . . 1.5 110.685 -173.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 79.6 mt -108.44 154.46 21.85 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.067 -0.345 . . . . 1.77 110.067 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -118.63 137.35 53.34 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.881 -0.414 . . . . 4.83 109.881 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.89 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 16.9 p90 -100.18 118.26 36.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.353 0.597 . . . . 1.93 110.929 -178.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.52 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 16.5 mm100 -108.82 134.14 51.92 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.687 -0.688 . . . . 3.17 109.983 173.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.505 HD12 HD12 ' A' ' 53' ' ' LEU . 57.5 mt -108.23 106.71 21.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.174 0.512 . . . . 1.84 109.753 177.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -114.41 105.39 13.06 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.281 -0.637 . . . . 2.29 109.281 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.79 -110.91 3.77 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.061 -0.59 . . . . 1.45 112.161 -174.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -114.03 23.77 12.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.79 0.805 . . . . 2.97 109.053 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.0 m -118.81 137.52 53.34 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.952 -1.022 . . . . 1.38 110.497 -173.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.725 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 34.3 t -108.46 117.53 54.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.089 -0.708 . . . . 1.33 109.089 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.52 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 19.2 m -104.45 113.1 26.44 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.8 0.333 . . . . 1.36 110.139 -177.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.548 ' HB ' ' HB3' ' A' ' 30' ' ' TYR . 39.9 t -95.39 98.12 7.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.843 -0.617 . . . . 1.42 109.414 178.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.319 -0.75 0 CA-C-N 115.712 -0.676 . . . . 2.29 109.898 -176.56 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 . . . . . 0 C--O 1.237 0.422 0 CA-C-O 120.976 0.417 . . . . 1.99 111.068 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.616 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 23.6 m-90 -126.35 153.51 44.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.595 -0.73 . . . . 1.52 109.593 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.0 m -89.62 99.16 12.22 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.43 -0.582 . . . . 1.82 109.43 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.611 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 26.6 mt -106.09 110.08 22.22 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.674 -0.694 . . . . 1.28 110.963 -172.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -93.53 98.58 11.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.246 -0.65 . . . . 2.12 109.246 172.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.444 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 40.8 mm -100.38 123.01 47.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.813 0.339 . . . . 1.57 111.237 -176.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.772 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 34.4 Cg_exo -64.35 162.16 31.55 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.599 2.866 . . . . 0.46 113.443 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -113.15 31.58 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.781 0.8 . . . . 1.19 109.794 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -103.41 -151.89 0.44 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.709 -1.132 . . . . 1.66 109.717 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 m -54.38 132.48 44.24 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.043 -0.526 . . . . 1.65 110.213 173.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.1 tpp -48.46 -32.13 7.33 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 114.907 -1.042 . . . . 1.5 111.516 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -53.46 -42.64 67.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.773 -0.648 . . . . 2.56 111.226 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.4 m -74.38 -41.54 60.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.937 0.399 . . . . 1.41 110.43 -176.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.772 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.12 -44.84 95.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.898 -0.592 . . . . 1.13 111.38 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.89 -46.99 73.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.258 -0.428 . . . . 1.52 111.279 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -61.63 -35.78 78.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 2.67 110.573 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.97 90.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 1.07 110.676 176.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.585 HD21 HD12 ' A' ' 53' ' ' LEU . 47.0 tp -64.58 -38.05 89.67 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.339 0.59 . . . . 1.64 109.673 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.04 99.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.754 -1.112 . . . . 1.17 109.96 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -61.12 -40.96 95.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.599 -0.728 . . . . 3.81 111.089 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.45 -35.08 78.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.082 -0.508 . . . . 1.76 112.313 -177.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.453 HG22 HD13 ' A' ' 49' ' ' LEU . 12.6 p -117.08 3.93 12.73 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.666 0.617 . . . . 1.26 112.666 -173.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.38 37.55 29.05 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.333 0.587 . . . . 2.11 110.995 -175.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.0 p -98.92 157.11 16.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.665 -0.698 . . . . 1.35 111.101 -176.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -103.59 120.74 41.49 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.72 -0.673 . . . . 2.97 109.762 176.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.538 ' CD2' ' HB ' ' A' ' 71' ' ' VAL . 63.4 mt -104.61 121.04 42.7 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.088 -0.506 . . . . 2.15 109.753 -177.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -97.25 109.14 21.95 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.321 -0.622 . . . . 2.63 109.321 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.542 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 32.1 p90 -163.63 163.36 24.42 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.413 -0.812 . . . . 1.29 109.201 -177.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.44 ' HB2' ' OD2' ' A' ' 34' ' ' ASP . 48.7 m -126.43 116.28 23.16 Favored Pre-proline 0 C--N 1.316 -0.879 0 CA-C-O 120.907 0.384 . . . . 2.08 110.462 178.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 31' ' ' SER . 31.7 Cg_exo -59.83 -18.94 51.97 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.218 2.612 . . . . 1.66 112.298 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -71.41 -37.09 71.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.792 -0.64 . . . . 2.96 109.958 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.44 ' OD2' ' HB2' ' A' ' 31' ' ' SER . 83.2 m-20 -72.12 -18.22 61.92 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.65 -0.704 . . . . 2.22 112.056 -177.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.53 HG13 ' H ' ' A' ' 37' ' ' GLY . 36.9 pt -99.35 -10.66 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.739 -0.384 . . . . 1.49 111.137 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.96 16.26 61.55 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 121.176 -0.535 . . . . 1.4 113.337 176.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.53 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 79.11 65.52 1.8 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.723 -0.751 . . . . 1.1 112.613 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.9 mt -86.04 154.3 21.52 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.04 -0.356 . . . . 2.2 110.04 176.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -96.7 142.0 29.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.89 0.376 . . . . 4.32 110.037 173.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.6 p -89.12 155.1 19.65 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.856 -0.611 . . . . 0.66 111.229 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.6 t -88.63 131.3 35.04 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.082 -0.71 . . . . 1.91 109.082 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.29 100.73 0.07 Allowed 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.649 0.593 . . . . 1.41 111.722 -177.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.3 mt -118.09 84.26 2.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.844 -0.616 . . . . 2.06 109.759 175.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.611 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 45.2 pttt -116.62 116.32 27.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.553 0.692 . . . . 2.89 111.197 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.82 -163.0 33.94 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 114.896 -1.047 . . . . 0.43 111.054 -176.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.616 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 9.8 ptm180 -120.41 113.02 19.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.967 0.383 . . . . 3.73 110.596 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -155.31 -179.88 8.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.719 0.295 . . . . 2.6 111.148 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -67.58 144.56 55.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.436 -0.802 . . . . 1.86 111.031 178.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.453 HD13 HG22 ' A' ' 24' ' ' THR . 44.1 tp -60.33 -60.12 4.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.596 0.236 . . . . 1.74 110.888 -176.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.71 ' HG3' ' HE2' ' A' ' 64' ' ' TYR . 9.6 tt0 -57.76 -34.69 69.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.205 0.526 . . . . 2.89 110.581 -177.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.7 t -64.38 -46.1 84.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.38 -0.827 . . . . 1.62 111.268 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.9 p -62.5 -48.2 80.62 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 111.406 0.15 . . . . 1.66 111.406 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.585 HD12 HD21 ' A' ' 20' ' ' LEU . 6.3 mp -59.57 -30.6 68.76 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.627 0.251 . . . . 1.3 111.277 176.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.537 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 57.8 ttp180 -61.75 -35.99 79.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.516 -0.311 . . . . 3.91 110.339 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.1 mt -74.18 -50.11 29.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.994 0.426 . . . . 1.86 110.665 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.96 -51.23 60.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.703 -0.68 . . . . 2.18 111.265 -173.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.482 ' HA ' ' OG1' ' A' ' 60' ' ' THR . 10.2 mp -72.93 -26.97 61.58 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.011 -0.276 . . . . 2.71 111.439 -175.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.537 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 9.0 tt0 -45.1 -49.97 11.41 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.352 0.408 . . . . 2.3 111.811 172.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.56 -20.71 73.87 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.812 -0.708 . . . . 1.62 113.031 -175.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.482 ' OG1' ' HA ' ' A' ' 57' ' ' LEU . 12.2 p -99.56 5.27 46.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.665 0.269 . . . . 1.76 111.718 -176.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.34 26.96 59.94 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 121.375 -0.44 . . . . 1.5 113.355 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.87 161.88 13.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.082 0.468 . . . . 1.77 110.974 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -121.35 149.62 42.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.741 -0.663 . . . . 4.83 109.969 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.71 ' HE2' ' HG3' ' A' ' 50' ' ' GLN . 9.2 p90 -131.35 125.37 32.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.283 0.563 . . . . 1.93 110.809 -178.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 12.8 mt-30 -104.45 119.24 38.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.334 -0.848 . . . . 3.17 109.185 175.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.5 mt -111.28 120.9 62.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.273 0.559 . . . . 1.84 111.013 -177.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -134.6 103.47 5.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.386 -0.824 . . . . 2.29 109.476 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.27 -101.68 0.85 Allowed Glycine 0 C--N 1.328 0.119 0 C-N-CA 121.06 -0.591 . . . . 1.45 112.065 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -122.5 18.43 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.062 -0.718 . . . . 2.97 109.062 174.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.8 m -110.0 118.98 37.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.253 -0.885 . . . . 1.38 109.775 -176.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.538 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 23.9 t -122.46 129.3 75.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.982 0.42 . . . . 1.33 110.321 -177.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 8.7 m -106.91 113.68 27.31 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.344 -0.389 . . . . 1.36 110.428 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.542 ' HB ' ' HB3' ' A' ' 30' ' ' TYR . 38.4 t -92.93 94.63 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.356 -0.609 . . . . 1.42 109.356 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.319 -0.75 0 CA-C-N 115.781 -0.645 . . . . 2.29 110.616 -174.19 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 . . . . . 0 N--CA 1.447 -0.609 0 N-CA-C 108.765 -0.828 . . . . 1.99 108.765 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.566 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 15.2 m-90 -134.56 160.94 36.48 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.501 -0.318 . . . . 1.52 110.365 -175.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.4 m -94.82 97.98 10.42 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.012 -1.107 . . . . 1.82 108.012 172.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.714 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 83.7 mt -104.42 117.57 34.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.719 -0.673 . . . . 1.28 111.072 -171.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -98.17 107.3 19.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.223 -0.444 . . . . 2.12 110.273 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.503 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 1.7 mp -101.88 125.75 36.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.249 -0.432 . . . . 1.57 110.091 178.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.923 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 29.9 Cg_exo -64.88 161.25 37.25 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.687 2.925 . . . . 0.46 113.759 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.44 33.64 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.308 -0.86 . . . . 1.19 109.714 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 65.8 mt-30 -96.4 -164.99 1.21 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.146 -0.934 . . . . 1.66 108.81 177.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.5 m -55.98 144.42 28.65 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.558 -0.534 . . . . 1.65 109.558 169.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.439 ' HB3' HD13 ' A' ' 35' ' ' ILE . 52.2 tpp -49.78 -23.53 1.88 Allowed 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.643 0.777 . . . . 1.5 111.626 -179.05 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -55.19 -47.37 75.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 2.56 110.783 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.4 m -76.56 -36.92 57.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.572 -0.285 . . . . 1.41 110.556 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.923 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -57.33 -52.27 66.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.243 -0.435 . . . . 1.13 111.336 177.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.34 -32.87 70.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.418 -0.355 . . . . 1.52 110.72 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -62.29 -48.72 78.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.484 . . . . 2.67 110.385 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.494 ' O ' ' HB2' ' A' ' 23' ' ' GLN . . . -65.52 -34.31 77.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.865 -0.607 . . . . 1.07 110.476 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.3 tp -66.62 -41.53 88.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.97 0.414 . . . . 1.64 110.173 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.95 85.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.543 -0.753 . . . . 1.17 110.155 -175.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.791 ' HE2' ' HA ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -65.9 -25.67 67.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.852 -1.067 . . . . 3.81 110.896 178.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.494 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 6.7 tt0 -93.53 -25.42 17.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.74 0.644 . . . . 1.76 112.74 -168.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.1 p -117.2 -0.51 12.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 1.26 111.612 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.3 t70 58.01 44.16 19.96 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.457 -0.792 . . . . 2.11 110.447 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.04 167.52 10.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.96 -0.564 . . . . 1.35 109.825 -178.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -98.17 117.32 32.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.915 0.388 . . . . 2.97 109.964 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.528 HD12 ' HB ' ' A' ' 71' ' ' VAL . 4.4 mm? -108.19 114.9 29.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.85 -0.614 . . . . 2.15 110.678 -177.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -106.4 113.31 26.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 2.63 109.521 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -141.95 143.06 33.05 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.202 -0.454 . . . . 1.29 110.42 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.627 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 14.5 m -102.04 114.97 65.33 Favored Pre-proline 0 C--N 1.315 -0.908 0 CA-C-N 115.764 -0.653 . . . . 2.08 109.958 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -56.95 -41.23 77.52 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.604 2.869 . . . . 1.66 113.333 -174.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.478 ' OE2' ' HB3' ' A' ' 31' ' ' SER . 0.0 OUTLIER -78.29 -22.82 47.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.544 -0.298 . . . . 2.96 111.183 -179.84 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.627 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 33.0 t70 -83.99 -26.41 29.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.829 0.347 . . . . 2.22 110.671 -177.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.439 HD13 ' HB3' ' A' ' 13' ' ' MET . 27.3 pt -96.84 -3.23 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.368 -0.378 . . . . 1.49 110.468 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.3 5.09 33.31 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 115.854 -0.612 . . . . 1.4 113.761 174.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 62.27 36.62 93.3 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.048 -0.596 . . . . 1.1 112.436 -178.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.91 157.35 36.44 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.909 -0.404 . . . . 2.2 109.909 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.552 ' H ' ' HD2' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -86.54 139.22 31.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.227 0.536 . . . . 4.32 110.598 -178.75 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 p -89.34 155.51 19.31 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.529 -0.76 . . . . 0.66 111.269 -177.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m -89.55 130.8 35.81 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.575 -0.898 . . . . 1.91 108.575 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.21 112.87 0.88 Allowed 'General case' 0 C--O 1.236 0.351 0 O-C-N 123.633 0.583 . . . . 1.41 111.973 -173.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.436 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 1.7 tm? -109.68 92.43 4.05 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.853 -1.166 . . . . 2.06 107.853 174.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.714 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 9.9 ptmt -136.53 118.56 15.35 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.6 0.714 . . . . 2.89 111.978 -176.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.47 -163.83 35.33 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 114.969 -1.014 . . . . 0.43 110.771 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.566 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 20.2 ttt180 -99.29 96.41 7.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.162 0.481 . . . . 3.73 109.815 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -137.78 160.54 38.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.973 -0.558 . . . . 2.6 109.674 -177.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -83.62 168.13 16.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.535 -0.543 . . . . 1.86 109.535 173.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.53 -52.95 63.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.127 0.267 . . . . 1.74 111.405 -175.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -57.24 -49.29 76.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 2.89 111.497 -177.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.407 ' O ' HG12 ' A' ' 55' ' ' ILE . 68.1 m -61.2 -44.2 97.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.437 -0.347 . . . . 1.62 111.365 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.9 m -60.1 -43.55 95.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.713 0.292 . . . . 1.66 110.95 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.98 -43.13 99.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 1.3 110.917 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -67.47 -48.36 67.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.975 -0.557 . . . . 3.91 111.535 -177.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 51' ' ' SER . 47.1 mm -67.41 -25.77 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.967 0.413 . . . . 1.86 110.831 -178.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.585 ' HB3' HD13 ' A' ' 57' ' ' LEU . 2.7 tt -74.72 -55.2 6.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.465 -0.334 . . . . 2.18 110.226 178.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.585 HD13 ' HB3' ' A' ' 56' ' ' LEU . 6.7 mp -95.98 25.52 4.71 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.692 -0.231 . . . . 2.71 111.296 -177.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -50.15 -57.62 7.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 2.3 112.147 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.63 32.19 3.24 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.278 -0.963 . . . . 1.62 112.775 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.9 p -91.82 2.05 56.77 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.242 0.46 . . . . 1.76 112.242 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.81 23.78 72.62 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.871 -0.681 . . . . 1.5 112.925 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.448 ' HB2' HD23 ' A' ' 57' ' ' LEU . 88.4 mt -114.4 161.74 17.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.703 -0.48 . . . . 1.77 109.703 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -111.05 124.32 51.94 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.809 0.338 . . . . 4.83 110.367 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.421 ' HB3' HD21 ' A' ' 57' ' ' LEU . 41.0 p90 -103.59 117.03 33.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.887 -0.597 . . . . 1.93 109.854 172.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 36.0 tt0 -106.98 111.68 24.29 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.841 -0.618 . . . . 3.17 109.739 177.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.8 tt -110.8 109.84 29.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.4 0.619 . . . . 1.84 110.317 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -129.52 102.08 6.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.614 -0.721 . . . . 2.29 109.686 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.37 -110.52 3.51 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.753 -0.737 . . . . 1.45 111.785 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -109.35 9.28 25.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.062 0.458 . . . . 2.97 110.537 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.6 m -105.54 121.06 43.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.837 -0.62 . . . . 1.38 110.778 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.528 ' HB ' HD12 ' A' ' 28' ' ' LEU . 44.6 t -120.23 120.32 62.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.437 -0.579 . . . . 1.33 109.437 176.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.0 m -114.14 126.28 54.9 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.77 0.319 . . . . 1.36 110.758 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.513 HG13 HD22 ' A' ' 57' ' ' LEU . 84.6 t -116.1 108.2 24.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 1.42 110.593 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.32 -0.681 0 CA-C-N 115.819 -0.628 . . . . 2.29 109.973 -178.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.426 ' OE2' ' HA ' ' A' ' 47' ' ' HIS . 45.3 mt-10 . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 121.278 0.561 . . . . 1.99 111.51 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.58 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 18.6 m-90 -140.0 163.43 32.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.949 -1.023 . . . . 1.52 108.788 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.6 m -96.01 98.78 10.64 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.248 -1.019 . . . . 1.82 108.248 174.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt -87.74 157.11 19.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.436 -0.802 . . . . 1.28 111.297 -172.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -138.15 98.07 3.54 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.371 -0.831 . . . . 2.12 108.796 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.702 HD12 HD11 ' A' ' 20' ' ' LEU . 69.0 mt -117.71 118.0 35.36 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 116.007 -0.542 . . . . 1.57 110.849 -175.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.797 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 42.8 Cg_exo -59.13 165.4 8.83 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 123.763 2.975 . . . . 0.46 113.914 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.608 ' HB3' ' HB1' ' A' ' 42' ' ' ALA . . . -119.06 41.45 3.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.067 -0.97 . . . . 1.19 109.156 177.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -114.75 -151.02 0.47 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.32 -1.309 . . . . 1.66 108.777 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 p -53.15 132.6 38.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.675 0.75 . . . . 1.65 111.305 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.407 ' HB3' HD12 ' A' ' 35' ' ' ILE . 5.5 tpt -47.01 -29.74 2.25 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 114.056 -1.429 . . . . 1.5 111.722 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -53.39 -47.74 69.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.371 -0.832 . . . . 2.56 111.455 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.0 m -76.67 -41.94 43.67 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.775 0.321 . . . . 1.41 110.704 -174.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.797 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -58.4 -51.0 71.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.844 -0.616 . . . . 1.13 111.918 -177.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.5 mt -67.02 -39.92 87.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.467 -0.333 . . . . 1.52 110.494 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -62.38 -37.42 85.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.22 -0.445 . . . . 2.67 110.404 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.2 -41.06 86.44 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.926 -0.579 . . . . 1.07 110.764 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.702 HD11 HD12 ' A' ' 8' ' ' ILE . 62.6 tp -64.66 -31.35 72.53 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.081 0.467 . . . . 1.64 110.133 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.45 -53.8 51.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.223 -0.899 . . . . 1.17 110.942 -177.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -64.48 -40.54 95.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 3.81 111.778 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -66.6 -24.34 66.31 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.551 0.575 . . . . 1.76 112.551 -173.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.2 p -111.78 -10.65 14.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.963 0.411 . . . . 1.26 111.176 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 t70 62.12 36.81 14.97 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.346 -0.843 . . . . 2.11 110.254 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.589 HG22 HD12 ' A' ' 49' ' ' LEU . 39.8 p -104.16 173.36 6.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.304 -0.862 . . . . 1.35 110.479 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.556 ' O ' ' HA ' ' A' ' 70' ' ' THR . 28.1 tt0 -108.55 119.41 39.45 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.368 -0.604 . . . . 2.97 109.368 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.462 ' CD2' ' HB ' ' A' ' 71' ' ' VAL . 45.5 mt -107.43 133.93 51.22 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.567 -0.453 . . . . 2.15 110.879 -175.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.94 109.88 19.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.708 -0.678 . . . . 2.63 109.247 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -152.03 144.35 24.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.113 -0.494 . . . . 1.29 110.013 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.2 t -109.84 115.27 55.56 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.301 -0.409 . . . . 2.08 110.387 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.61 -37.26 83.18 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.843 3.028 . . . . 1.66 113.618 -177.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -69.63 -41.33 75.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.994 0.426 . . . . 2.96 110.778 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -81.72 -5.29 57.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.848 -0.615 . . . . 2.22 111.901 -170.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.614 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 35.9 pt -99.55 -8.71 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.799 -0.36 . . . . 1.49 110.88 177.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.66 20.84 68.54 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 121.187 -0.53 . . . . 1.4 113.036 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.467 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 61.92 55.89 25.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.904 -0.665 . . . . 1.1 112.616 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 87.4 mt -66.97 163.9 18.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.771 0.32 . . . . 2.2 110.96 177.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -115.12 138.96 50.31 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.971 -0.751 . . . . 4.32 108.971 169.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.9 p -88.85 156.74 18.75 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.783 -0.644 . . . . 0.66 111.604 -175.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.8 m -89.71 122.11 32.51 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.355 -0.98 . . . . 1.91 108.355 170.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.608 ' HB1' ' HB3' ' A' ' 10' ' ' ALA . . . -56.05 110.77 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.541 0.525 . . . . 1.41 111.67 -173.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -111.66 90.64 3.39 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.722 -0.844 . . . . 2.06 108.722 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -124.78 104.5 8.67 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.624 0.726 . . . . 2.89 110.25 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.99 -165.83 33.99 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.32 -0.854 . . . . 0.43 111.043 -176.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.58 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 14.3 ttt180 -107.09 111.55 24.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 117.056 0.428 . . . . 3.73 110.6 -178.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . 0.426 ' HA ' ' OE2' ' A' ' 3' ' ' GLU . 42.2 m-70 -154.64 173.02 16.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.662 -0.244 . . . . 2.6 110.506 176.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.455 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 8.8 m-20 -72.78 168.78 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.979 -0.555 . . . . 1.86 110.822 177.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.589 HD12 HG22 ' A' ' 26' ' ' THR . 8.8 tt -61.1 -59.69 4.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.433 -0.349 . . . . 1.74 110.178 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -65.24 -30.4 71.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.43 -0.35 . . . . 2.89 111.551 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.455 ' OG ' ' HB2' ' A' ' 48' ' ' ASP . 50.4 m -63.68 -45.25 90.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.691 0.281 . . . . 1.62 110.659 177.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.2 t -59.81 -46.94 87.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 1.66 110.063 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.23 -39.85 80.17 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.846 -0.616 . . . . 1.3 111.161 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -64.22 -46.83 82.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.384 -0.371 . . . . 3.91 111.221 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.7 mt -70.97 -31.34 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.085 0.469 . . . . 1.86 110.737 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.443 ' O ' HD21 ' A' ' 56' ' ' LEU . 5.3 tt -76.41 -33.65 58.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.11 -0.496 . . . . 2.18 109.75 178.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.54 HD22 ' HD1' ' A' ' 64' ' ' TYR . 14.6 tp -64.26 -44.85 90.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 2.71 110.669 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -46.73 109.72 0.22 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.64 -0.709 . . . . 2.3 111.402 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.47 -20.9 17.87 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.918 -0.658 . . . . 1.62 113.095 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.5 p -94.17 -10.85 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 117.213 0.507 . . . . 1.76 112.243 -175.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.46 17.29 39.45 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 121.325 -0.464 . . . . 1.5 113.958 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.7 mt -102.62 176.46 5.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.073 0.436 . . . . 1.77 110.858 -176.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -126.05 133.07 51.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.837 -0.431 . . . . 4.83 109.837 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.54 ' HD1' HD22 ' A' ' 57' ' ' LEU . 45.9 p90 -100.42 118.66 37.09 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.827 -0.749 . . . . 1.93 110.987 178.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -102.48 112.41 25.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.089 -0.959 . . . . 3.17 109.65 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.1 tt -104.61 114.28 43.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.445 0.64 . . . . 1.84 110.368 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -128.4 112.76 14.75 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.539 -0.755 . . . . 2.29 109.939 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.48 -112.17 4.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.995 -0.621 . . . . 1.45 111.802 -176.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -115.42 15.53 16.78 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.642 -0.873 . . . . 2.97 108.642 175.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.556 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 35.0 m -110.38 134.45 52.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.224 -0.898 . . . . 1.38 110.303 -177.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.462 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 18.1 t -119.77 117.48 53.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.17 -0.678 . . . . 1.33 109.17 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 36.4 m -106.8 119.99 40.8 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.282 -0.417 . . . . 1.36 110.343 -175.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 34.5 t -88.9 100.21 10.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.073 -0.714 . . . . 1.42 109.073 177.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.323 -0.574 0 CA-C-O 120.943 0.401 . . . . 2.29 110.484 -172.767 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 109.426 -0.583 . . . . 1.99 109.426 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.45 ' HZ3' ' H ' ' A' ' 49' ' ' LEU . 22.7 m-90 -125.71 145.71 50.06 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.187 0.518 . . . . 1.52 110.62 -175.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -95.62 99.14 11.04 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.51 -0.922 . . . . 1.82 108.51 178.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 68.9 mt -100.7 121.53 41.8 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.562 -0.744 . . . . 1.28 111.349 -170.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -92.37 98.06 11.25 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.416 -0.586 . . . . 2.12 109.416 173.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 47.9 mm -103.81 119.75 53.53 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.242 -0.435 . . . . 1.57 110.281 -178.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.856 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 18.4 Cg_exo -68.97 147.68 68.48 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.201 2.601 . . . . 0.46 113.434 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.629 ' HB1' ' HB3' ' A' ' 42' ' ' ALA . . . -96.85 26.59 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.386 -0.824 . . . . 1.19 109.963 176.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 15.3 mt-30 -95.77 -156.6 0.53 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.776 -1.102 . . . . 1.66 108.677 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.4 t -51.79 131.43 30.56 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.822 -0.436 . . . . 1.65 109.822 171.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 51.7 ttm -51.61 -26.97 9.9 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.391 -0.822 . . . . 1.5 111.801 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.499 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 8.8 t30 -55.41 -38.94 69.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.415 -0.357 . . . . 2.56 110.558 175.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.5 t -71.43 -42.15 68.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.576 -0.527 . . . . 1.41 109.576 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.856 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.46 -41.85 97.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.418 -0.81 . . . . 1.13 111.537 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.79 -40.13 76.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.305 -0.407 . . . . 1.52 111.083 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 14' ' ' ASN . 24.4 mt-30 -59.13 -41.6 88.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.221 0.534 . . . . 2.67 110.228 174.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.38 -42.74 87.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.609 -0.723 . . . . 1.07 110.84 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.35 -47.96 74.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 1.64 110.988 -176.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.49 98.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.798 -0.637 . . . . 1.17 110.269 -175.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.431 ' HB3' ' HE2' ' A' ' 22' ' ' LYS . 31.4 ttpt -60.09 -41.31 92.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.75 -1.114 . . . . 3.81 111.39 178.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -77.49 -33.51 54.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.01 0.745 . . . . 1.76 113.01 -171.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.8 p -111.24 3.01 18.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.729 0.64 . . . . 1.26 112.729 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 56.36 38.27 29.58 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.953 -0.567 . . . . 2.11 111.092 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 p -107.17 158.24 17.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.238 -0.437 . . . . 1.35 111.176 -176.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -97.18 123.91 41.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.123 -0.489 . . . . 2.97 109.903 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.524 HD23 ' HB ' ' A' ' 71' ' ' VAL . 86.8 mt -108.02 116.26 31.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.347 -0.388 . . . . 2.15 110.032 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -103.04 109.8 21.48 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.866 -0.79 . . . . 2.63 108.866 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -156.84 158.88 37.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.821 -0.627 . . . . 1.29 109.936 -177.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 p -103.76 111.57 65.19 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 116.119 -0.491 . . . . 2.08 110.26 175.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.74 -26.92 75.62 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.119 2.546 . . . . 1.66 113.268 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -70.24 -18.18 63.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.664 0.269 . . . . 2.96 111.098 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.27 -10.18 56.8 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.892 0.331 . . . . 2.22 111.892 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.427 HG13 ' H ' ' A' ' 37' ' ' GLY . 37.7 pt -103.69 -28.29 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.63 -0.428 . . . . 1.49 110.598 174.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.97 11.27 50.53 Favored Glycine 0 C--N 1.335 0.488 0 CA-C-N 116.039 -0.528 . . . . 1.4 113.428 174.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.427 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 82.31 47.43 6.08 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.948 -0.644 . . . . 1.1 112.419 -178.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 pp -87.81 154.67 20.36 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.75 -0.463 . . . . 2.2 109.75 176.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 25.3 ptt-85 -83.21 126.67 32.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.391 0.615 . . . . 4.32 111.108 -175.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 p -86.34 161.05 18.91 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.448 -0.796 . . . . 0.66 110.45 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.0 m -90.57 114.15 26.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.176 -0.465 . . . . 1.91 109.767 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.629 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . . . -58.15 112.17 1.44 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.862 -0.608 . . . . 1.41 112.068 -175.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.7 tp -109.96 83.31 1.73 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.265 -0.643 . . . . 2.06 109.265 174.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 1.3 tmtp? -101.36 116.02 31.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.891 -0.595 . . . . 2.89 109.614 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.13 -163.7 35.4 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.531 -0.842 . . . . 0.43 112.392 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -97.48 104.68 16.72 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.67 -0.493 . . . . 3.73 109.67 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -138.29 144.37 40.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.23 -0.441 . . . . 2.6 110.891 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.75 161.71 29.93 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.896 -0.779 . . . . 1.86 108.896 169.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.45 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 43.5 tp -55.55 -51.02 68.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.838 0.29 . . . . 1.74 110.852 -175.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -60.0 -38.47 82.69 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.239 -0.437 . . . . 2.89 111.187 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.4 t -62.75 -51.89 65.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.876 -0.602 . . . . 1.62 110.43 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.6 t -61.79 -49.7 75.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.727 -0.67 . . . . 1.66 111.205 -176.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.01 -38.64 83.25 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.186 0.439 . . . . 1.3 112.186 -174.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.414 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 59.4 ttt180 -72.17 -47.59 49.67 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.82 -0.352 . . . . 3.91 110.946 -176.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.9 mm -65.85 -37.1 79.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 1.86 110.976 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.8 tp -71.9 -30.17 65.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.036 -0.529 . . . . 2.18 111.095 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.905 HD21 ' HD1' ' A' ' 64' ' ' TYR . 13.7 tp -70.82 -44.44 66.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 2.71 110.996 -178.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 54' ' ' ARG . 26.9 mt-30 -46.81 106.7 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.57 -0.741 . . . . 2.3 112.148 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.91 -20.65 8.09 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.698 -0.763 . . . . 1.62 113.045 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.0 p -91.76 -7.97 48.14 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.43 0.53 . . . . 1.76 112.43 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.16 17.36 61.28 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.995 -0.621 . . . . 1.5 113.293 -178.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.5 mt -105.78 173.65 6.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.752 0.311 . . . . 1.77 110.616 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -119.47 130.87 55.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.133 -0.485 . . . . 4.83 110.416 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.905 ' HD1' HD21 ' A' ' 57' ' ' LEU . 16.7 p90 -99.89 118.69 36.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.304 0.574 . . . . 1.93 109.923 175.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.523 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -100.17 109.23 21.49 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.002 -0.74 . . . . 3.17 109.002 174.545 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.8 tt -105.88 113.19 42.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.596 0.712 . . . . 1.84 110.476 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -132.57 100.06 4.84 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.572 -0.74 . . . . 2.29 109.917 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.2 -106.27 1.47 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.916 -0.659 . . . . 1.45 112.465 -177.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -111.13 7.97 21.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.456 0.646 . . . . 2.97 109.82 178.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.2 m -105.57 120.39 41.51 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.24 -0.891 . . . . 1.38 110.563 -176.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.524 ' HB ' HD23 ' A' ' 28' ' ' LEU . 47.6 t -116.27 122.86 70.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.543 -0.54 . . . . 1.33 109.543 178.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.523 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 6.0 m -115.31 127.56 55.52 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.554 -0.294 . . . . 1.36 110.725 -176.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.0 t -98.67 105.4 17.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.694 -0.484 . . . . 1.42 109.694 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 C--N 1.321 -0.653 0 CA-C-N 115.926 -0.579 . . . . 2.29 110.187 -176.422 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 121.168 0.508 . . . . 1.99 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 22.3 m-90 -136.97 155.21 50.01 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.365 -0.834 . . . . 1.52 109.15 175.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 m -95.93 98.34 10.32 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.475 -0.935 . . . . 1.82 108.475 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.9 mt -95.57 118.47 32.34 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.265 -0.88 . . . . 1.28 111.056 -169.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -94.31 98.16 10.72 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.936 -0.764 . . . . 2.12 108.936 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.451 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 49.5 mm -106.06 128.02 27.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.2 -0.455 . . . . 1.57 110.841 -175.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.652 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 23.9 Cg_exo -66.7 155.33 70.98 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 123.203 2.602 . . . . 0.46 112.694 176.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.21 30.09 5.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.66 0.743 . . . . 1.19 109.707 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.406 HE21 ' HB2' ' A' ' 11' ' ' GLN . 17.4 mt-30 -101.15 -162.81 0.97 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.701 -1.136 . . . . 1.66 109.681 -177.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.6 m -56.84 142.25 41.69 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.926 0.393 . . . . 1.65 109.992 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.4 mtt -47.37 -26.69 1.37 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.132 -0.94 . . . . 1.5 112.947 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -52.64 -46.81 67.27 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.285 0.365 . . . . 2.56 111.193 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.5 m -79.45 -42.6 25.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 1.41 110.546 -176.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.652 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -60.25 -48.01 83.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.845 -0.616 . . . . 1.13 111.828 -177.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.86 -38.33 82.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.802 0.334 . . . . 1.52 110.669 -178.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -62.02 -42.92 99.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.048 0.451 . . . . 2.67 110.588 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.86 -41.22 87.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.874 -0.603 . . . . 1.07 111.055 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.1 tp -65.86 -40.04 91.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.908 0.385 . . . . 1.64 110.934 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.14 -54.79 32.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.561 -0.745 . . . . 1.17 110.832 -175.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -66.54 -21.08 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.616 -0.72 . . . . 3.81 112.087 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -81.16 -24.7 37.39 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.684 0.253 . . . . 1.76 111.684 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.6 p -117.77 3.66 12.27 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.714 -0.394 . . . . 1.26 111.884 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 58.15 33.8 23.52 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.075 -0.511 . . . . 2.11 111.021 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.436 HG22 HD12 ' A' ' 49' ' ' LEU . 32.6 p -104.75 162.4 13.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.22 -0.445 . . . . 1.35 110.955 -176.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.813 ' HA ' HE21 ' A' ' 27' ' ' GLN . 0.0 OUTLIER -105.66 116.45 31.96 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.574 -0.528 . . . . 2.97 109.574 175.712 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.517 HD22 ' HB ' ' A' ' 71' ' ' VAL . 74.9 mt -105.59 114.75 29.1 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.519 -0.548 . . . . 2.15 109.519 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.9 tp -103.74 115.15 29.95 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.993 -0.549 . . . . 2.63 109.527 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -136.2 170.93 15.23 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.663 -0.699 . . . . 1.29 109.681 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.1 m -130.86 134.41 25.96 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 110.106 -0.331 . . . . 2.08 110.106 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -48.93 -52.41 8.75 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.008 2.472 . . . . 1.66 112.747 -174.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.515 ' CD ' ' H ' ' A' ' 33' ' ' GLU . 1.2 pm0 -71.2 -9.67 58.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.025 -0.534 . . . . 2.96 112.161 -178.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.51 -8.88 33.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 2.22 110.401 -178.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.7 pt -119.9 -29.27 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 1.49 110.737 178.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.81 -1.5 53.47 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.21 -0.519 . . . . 1.4 113.075 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.23 40.77 92.3 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.05 -0.595 . . . . 1.1 112.203 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 pp -91.29 162.94 14.41 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.287 -0.264 . . . . 2.2 110.287 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -75.69 120.76 21.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.45 0.643 . . . . 4.32 110.123 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 p -84.85 165.8 17.41 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.488 -0.778 . . . . 0.66 111.614 -174.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.5 m -86.49 95.14 9.61 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.0 -0.741 . . . . 1.91 109.0 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.26 127.27 28.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.581 -0.736 . . . . 1.41 111.696 -173.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 43' ' ' LEU . 1.2 tm? -102.91 84.79 2.43 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.112 -1.07 . . . . 2.06 108.112 175.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -99.33 94.65 6.57 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.883 -1.053 . . . . 2.89 109.899 -174.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.83 -163.7 36.23 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.48 -0.867 . . . . 0.43 112.286 -178.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 15.1 ttt180 -110.97 113.64 26.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.022 -0.362 . . . . 3.73 110.022 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -151.42 168.39 25.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.006 0.431 . . . . 2.6 111.558 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.98 152.79 44.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.971 -1.013 . . . . 1.86 110.604 175.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.436 HD12 HG22 ' A' ' 26' ' ' THR . 4.3 tt -57.75 -60.49 3.62 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.55 0.214 . . . . 1.74 111.009 -173.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -59.82 -37.5 79.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.946 0.403 . . . . 2.89 110.699 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.6 m -61.32 -47.79 84.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.731 -0.668 . . . . 1.62 110.979 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.4 p -62.1 -39.09 91.33 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.761 0.315 . . . . 1.66 111.071 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.94 -45.81 87.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.216 -0.447 . . . . 1.3 111.307 -178.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.31 -37.07 84.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.656 -0.247 . . . . 3.91 111.427 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.3 mm -70.15 -32.83 52.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.966 0.412 . . . . 1.86 110.413 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -73.12 -48.07 38.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 2.18 110.191 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.9 mt -96.97 22.78 7.94 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.381 -0.372 . . . . 2.71 111.319 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -51.79 94.34 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.641 -0.709 . . . . 2.3 112.358 176.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.42 42.04 57.16 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 121.102 -0.57 . . . . 1.62 113.355 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.1 p -88.75 2.47 53.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.056 0.391 . . . . 1.76 112.056 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.72 10.72 58.85 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 121.09 -0.576 . . . . 1.5 113.036 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.6 mt -110.37 165.46 11.76 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.783 -0.451 . . . . 1.77 109.783 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -111.36 124.23 51.82 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.677 0.275 . . . . 4.83 110.47 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.472 ' HA ' ' O ' ' A' ' 72' ' ' THR . 44.2 p90 -102.4 148.11 25.89 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.744 -0.465 . . . . 1.93 109.744 173.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . 0.471 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 73.5 mt-30 -131.08 105.67 7.86 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.322 -0.621 . . . . 3.17 109.322 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.5 tt -111.55 113.82 45.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.372 0.606 . . . . 1.84 111.058 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -156.95 133.85 10.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.607 -0.724 . . . . 2.29 109.92 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.13 -122.17 23.08 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.087 -0.805 . . . . 1.45 111.087 -176.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -109.93 17.25 21.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.942 0.401 . . . . 2.97 109.978 175.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m -111.01 124.19 51.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.882 -0.599 . . . . 1.38 111.403 -176.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.517 ' HB ' HD22 ' A' ' 28' ' ' LEU . 40.6 t -126.32 108.58 19.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.952 -0.758 . . . . 1.33 108.952 172.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.472 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 55.3 m -107.51 129.88 54.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.48 -0.327 . . . . 1.36 111.069 -175.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.3 t -113.56 105.35 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.137 -0.483 . . . . 1.42 109.96 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 116.009 -0.542 . . . . 2.29 110.437 -178.213 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.829 0.347 . . . . 1.99 110.149 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 23.3 m-90 -127.73 150.62 49.71 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.06 -0.518 . . . . 1.52 110.276 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.6 m -96.35 97.9 9.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.81 -0.811 . . . . 1.82 108.81 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.1 mt -97.06 122.31 39.92 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.42 -0.809 . . . . 1.28 110.358 -172.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.84 101.69 14.27 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.268 -0.642 . . . . 2.12 109.268 172.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.566 ' H ' ' HB3' ' A' ' 44' ' ' LYS . 40.5 mm -109.75 125.69 30.7 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.142 -0.481 . . . . 1.57 111.075 -175.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.694 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 19.9 Cg_exo -68.3 165.59 28.24 Favored 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.773 2.982 . . . . 0.46 112.884 178.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.441 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . . . -117.99 22.47 12.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 1.19 111.373 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -102.87 -157.42 0.61 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.021 -0.536 . . . . 1.66 109.776 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 m -52.26 139.45 23.97 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 121.194 0.521 . . . . 1.65 111.299 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.0 mmt -46.72 -31.63 3.07 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 114.941 -1.027 . . . . 1.5 112.269 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -49.71 -43.12 47.33 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.354 0.409 . . . . 2.56 110.699 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -78.27 -47.75 17.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.299 -0.41 . . . . 1.41 110.316 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.694 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -64.1 -43.47 95.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 1.13 111.793 -174.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.05 -48.56 67.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.09 -0.504 . . . . 1.52 110.577 -177.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -61.99 -32.75 73.24 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.878 0.371 . . . . 2.67 110.82 177.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 23' ' ' GLN . . . -66.88 -43.71 82.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 1.07 110.799 177.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.2 -37.45 80.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.997 0.427 . . . . 1.64 110.284 -178.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.28 -63.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.269 -0.878 . . . . 1.17 110.682 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -64.81 -21.3 66.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.309 -0.405 . . . . 3.81 112.044 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -65.79 -31.81 72.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.9 0.381 . . . . 1.76 110.628 177.823 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -118.05 10.3 13.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.154 -0.476 . . . . 1.26 110.975 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.9 t70 53.06 41.97 32.19 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.223 -0.898 . . . . 2.11 110.766 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -105.05 -177.72 3.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.788 -0.642 . . . . 1.35 111.219 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -125.03 130.02 51.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.871 -0.604 . . . . 2.97 109.727 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.543 ' CD2' ' HB ' ' A' ' 71' ' ' VAL . 41.3 mt -117.47 127.98 54.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.872 0.368 . . . . 2.15 110.18 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.5 112.8 25.12 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.786 -0.82 . . . . 2.63 108.786 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -153.07 152.17 31.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.233 -0.439 . . . . 1.29 110.23 -176.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.1 m -106.06 113.49 63.54 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.562 -0.533 . . . . 2.08 109.562 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.99 -34.12 75.64 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.463 2.775 . . . . 1.66 113.418 -176.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.55 -26.43 57.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.059 0.457 . . . . 2.96 111.115 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -92.8 -12.48 31.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.061 -0.518 . . . . 2.22 110.848 -172.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.547 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 19.8 pt -95.66 5.92 8.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 1.49 109.705 177.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.43 16.47 43.56 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.324 -0.853 . . . . 1.4 114.095 173.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.69 42.75 78.72 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.911 -0.662 . . . . 1.1 111.986 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 92.6 mt -76.83 149.43 36.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.424 -0.213 . . . . 2.2 110.424 -176.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.639 ' H ' ' HD2' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -84.49 144.47 28.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.994 0.426 . . . . 4.32 109.89 175.84 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 p -85.27 156.1 21.09 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.669 -0.696 . . . . 0.66 110.593 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.8 t -86.65 125.85 34.13 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.232 -1.025 . . . . 1.91 108.232 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.441 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . . . -56.85 96.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.71 0.631 . . . . 1.41 111.255 -176.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.4 tp -117.6 81.81 1.72 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.858 -0.793 . . . . 2.06 108.858 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.566 ' HB3' ' H ' ' A' ' 8' ' ' ILE . 25.0 pttm -119.51 120.12 35.84 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 121.424 0.63 . . . . 2.89 109.831 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.38 -162.31 33.4 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.076 -0.965 . . . . 0.43 111.411 -174.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -97.03 106.1 18.38 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.975 -0.38 . . . . 3.73 109.975 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -141.08 160.78 39.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.372 -0.377 . . . . 2.6 110.507 -175.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -86.83 166.41 15.22 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.544 -0.539 . . . . 1.86 109.544 172.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.4 tp -57.88 -55.2 38.03 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.302 0.376 . . . . 1.74 111.765 -173.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.467 ' HA ' ' OE1' ' A' ' 50' ' ' GLN . 14.0 mm-40 -60.16 -45.91 91.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 2.89 111.569 -175.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.0 t -60.47 -41.97 95.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.442 -0.344 . . . . 1.62 110.549 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 m -62.07 -48.23 81.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.284 -0.417 . . . . 1.66 110.909 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.6 -45.96 87.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.154 0.502 . . . . 1.3 110.665 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 25.2 ttt180 -61.98 -48.51 80.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.387 -0.824 . . . . 3.91 111.353 -177.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.0 mt -72.34 -35.58 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.969 0.359 . . . . 1.86 111.969 -176.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.0 tt -66.89 -47.17 72.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 2.18 110.802 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.659 ' HG ' ' HB3' ' A' ' 64' ' ' TYR . 3.9 mm? -79.07 -24.19 43.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.59 0.233 . . . . 2.71 111.149 -179.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.449 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 8.7 tt0 -52.42 109.4 0.39 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.224 -0.444 . . . . 2.3 111.243 175.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.29 63.41 1.19 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.619 -0.8 . . . . 1.62 112.132 178.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.6 p -144.57 -36.25 0.32 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.012 0.434 . . . . 1.76 110.993 -176.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.25 7.79 51.43 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.218 -0.753 . . . . 1.5 111.218 -172.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.7 mt -117.43 160.68 20.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.726 0.298 . . . . 1.77 110.361 -177.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -114.37 126.69 55.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 4.83 109.963 178.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.659 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 40.3 p90 -100.54 145.57 28.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.246 -0.434 . . . . 1.93 110.727 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -133.3 126.95 32.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.766 -0.652 . . . . 3.17 109.757 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.2 tt -103.01 123.43 56.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.442 0.639 . . . . 1.84 111.076 178.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -127.56 91.55 3.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.504 -0.771 . . . . 2.29 110.115 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.45 -99.55 0.4 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.26 -0.495 . . . . 1.45 112.524 -178.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -118.22 9.46 12.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.343 0.592 . . . . 2.97 109.935 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 m -111.91 138.24 48.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.559 -0.746 . . . . 1.38 109.672 177.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.543 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 22.9 t -126.02 135.36 64.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.583 -0.525 . . . . 1.33 109.583 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.0 m -112.13 130.88 55.75 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.654 -0.248 . . . . 1.36 110.54 -177.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.4 t -117.75 110.82 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.445 -0.343 . . . . 1.42 110.243 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 115.966 -0.561 . . . . 2.29 110.151 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.672 0.272 . . . . 4.16 111.344 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -81.11 62.1 4.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.429 0.633 . . . . 3.98 110.17 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -131.18 166.44 21.12 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.329 -0.851 . . . . 1.99 108.792 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.522 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 29.7 m-90 -133.37 160.88 36.05 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 110.288 -0.264 . . . . 1.52 110.288 -172.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 t -96.17 99.92 11.61 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.387 -0.968 . . . . 1.82 108.387 173.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.9 mt -86.24 153.38 22.05 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.37 -0.832 . . . . 1.28 111.819 -170.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -130.55 98.27 4.62 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.949 -1.13 . . . . 2.12 107.949 172.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.436 HD12 HD13 ' A' ' 20' ' ' LEU . 47.2 mm -117.72 125.92 27.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.015 -0.538 . . . . 1.57 110.968 -172.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.712 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 26.1 Cg_exo -64.55 153.34 77.79 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.95 2.433 . . . . 0.46 112.453 175.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.553 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . . . -109.97 20.89 17.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.852 0.834 . . . . 1.19 109.779 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.5 HE21 ' CB ' ' A' ' 15' ' ' SER . 12.1 pt20 -96.71 -150.02 0.33 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.566 -1.197 . . . . 1.66 109.246 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -53.27 131.33 37.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.813 0.816 . . . . 1.65 111.388 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.433 ' HB3' HD12 ' A' ' 35' ' ' ILE . 50.2 tpp -49.91 -34.41 20.28 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 114.294 -1.321 . . . . 1.5 112.57 -176.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -57.2 -33.06 67.11 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.393 -0.367 . . . . 2.56 111.18 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.5 ' CB ' HE21 ' A' ' 11' ' ' GLN . 6.5 m -78.1 -44.96 24.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.913 -0.585 . . . . 1.41 110.626 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.712 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -60.54 -46.46 90.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.97 -0.559 . . . . 1.13 111.542 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.64 -43.4 89.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 1.52 110.992 -178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.54 -37.39 86.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.931 0.396 . . . . 2.67 111.063 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.48 -40.42 93.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.125 -0.489 . . . . 1.07 110.405 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.436 HD13 HD12 ' A' ' 8' ' ' ILE . 60.3 tp -65.87 -34.67 78.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.0 -0.545 . . . . 1.64 110.16 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.55 -57.01 14.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.137 -0.938 . . . . 1.17 110.628 -175.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -63.1 -36.63 84.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.353 -0.84 . . . . 3.81 111.354 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -80.3 -18.52 49.03 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.887 0.699 . . . . 1.76 112.887 -171.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.8 p -120.32 9.34 10.99 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.635 -0.426 . . . . 1.26 111.992 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 60.73 47.32 8.14 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.013 -0.54 . . . . 2.11 111.017 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p -128.54 154.66 45.93 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.003 0.43 . . . . 1.35 111.44 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -103.46 120.18 40.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.901 -0.591 . . . . 2.97 109.53 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.553 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 9.8 mp -112.94 125.78 54.76 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.923 -0.399 . . . . 2.15 109.923 -176.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -106.47 120.76 42.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.917 -0.583 . . . . 2.63 110.211 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -156.53 157.67 35.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.339 -0.846 . . . . 1.29 109.731 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.1 t -102.72 114.09 65.51 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-O 120.827 0.346 . . . . 2.08 110.313 178.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.87 -30.14 77.07 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.0 2.466 . . . . 1.66 112.608 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -76.89 -32.04 57.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.094 -0.503 . . . . 2.96 111.069 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -84.79 -8.02 58.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.963 -0.562 . . . . 2.22 111.733 -171.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.433 HD12 ' HB3' ' A' ' 13' ' ' MET . 24.6 pt -96.89 -1.03 10.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.911 -0.316 . . . . 1.49 111.116 -178.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.73 17.19 33.69 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 116.067 -0.515 . . . . 1.4 114.304 173.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.05 40.38 93.13 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.804 -0.712 . . . . 1.1 112.569 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.9 mt -74.22 144.65 44.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.27 -0.27 . . . . 2.2 110.27 178.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -79.21 135.8 36.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.054 0.454 . . . . 4.32 110.238 176.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 p -83.96 156.47 22.3 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.731 -0.668 . . . . 0.66 111.758 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 t -87.93 95.83 10.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.8 -0.815 . . . . 1.91 108.8 176.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.553 ' HB1' ' HB2' ' A' ' 10' ' ' ALA . . . -58.04 115.44 2.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.44 -0.8 . . . . 1.41 111.932 -174.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.4 tp -114.25 83.59 1.9 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.455 -0.572 . . . . 2.06 109.455 174.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -102.09 103.61 14.19 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.515 0.674 . . . . 2.89 109.996 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.52 -162.98 31.86 Favored Glycine 0 N--CA 1.44 -1.045 0 N-CA-C 110.387 -1.085 . . . . 0.43 110.387 -174.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 34.0 ttm105 -98.74 111.86 24.11 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 117.139 0.47 . . . . 3.73 110.739 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -155.6 161.68 40.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.593 -0.73 . . . . 2.6 110.689 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.56 157.02 27.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.359 -0.837 . . . . 1.86 110.763 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.401 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 1.1 tm? -57.25 -58.28 8.91 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.116 0.166 . . . . 1.74 111.124 -173.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -59.2 -41.53 88.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.044 0.45 . . . . 2.89 110.983 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.7 m -63.09 -45.57 91.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.698 -0.683 . . . . 1.62 111.003 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.9 m -61.98 -42.74 99.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.341 -0.391 . . . . 1.66 110.823 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 95.9 mt -57.38 -46.11 83.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.128 -0.487 . . . . 1.3 110.219 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -61.48 -45.21 95.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.714 -0.675 . . . . 3.91 111.271 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.2 mt -67.77 -42.5 86.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.855 0.36 . . . . 1.86 111.468 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.11 -41.56 67.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.305 -0.407 . . . . 2.18 110.833 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.473 HD11 ' HB2' ' A' ' 62' ' ' LEU . 3.0 tm? -72.13 -44.59 62.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.034 -0.53 . . . . 2.71 110.805 -175.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -46.53 112.64 0.52 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.574 0.546 . . . . 2.3 111.613 -177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.59 -13.66 5.61 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.585 -0.734 . . . . 1.62 111.947 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.2 p -107.03 3.0 25.48 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.091 0.404 . . . . 1.76 112.091 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.12 25.22 53.58 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 114.16 0.424 . . . . 1.5 114.16 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.473 ' HB2' HD11 ' A' ' 57' ' ' LEU . 80.8 mt -100.46 169.33 9.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.403 -0.469 . . . . 1.77 110.434 -178.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.519 ' HD3' ' HB2' ' A' ' 76' ' ' SER . 10.6 mpt_? -121.75 126.29 48.55 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.96 -0.385 . . . . 4.83 109.96 177.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -100.51 125.46 46.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.108 0.48 . . . . 1.93 110.851 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.42 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 48.1 mt-30 -101.54 110.36 22.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.903 -0.589 . . . . 3.17 109.81 175.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.7 tt -104.78 114.8 45.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.277 0.561 . . . . 1.84 110.451 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -135.62 101.25 4.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.881 -0.599 . . . . 2.29 110.346 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.06 -105.09 0.77 Allowed Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 121.045 -0.597 . . . . 1.45 112.959 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -106.93 7.78 30.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.922 0.391 . . . . 2.97 110.26 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 m -109.2 125.96 52.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.939 0.4 . . . . 1.38 111.038 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.553 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 58.7 t -122.16 111.59 31.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.397 -0.594 . . . . 1.33 109.397 175.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.42 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 19.1 m -110.38 112.52 24.51 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.891 0.377 . . . . 1.36 110.542 -176.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.3 t -93.38 104.64 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.843 -0.429 . . . . 1.42 109.843 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -113.06 155.7 24.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.237 -0.438 . . . . 2.29 110.334 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.91 108.24 19.64 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.321 -0.4 . . . . 2.1 110.229 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.519 ' HB2' ' HD3' ' A' ' 63' ' ' ARG . 18.4 m -102.26 103.55 14.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.388 -0.369 . . . . 3.1 110.342 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.14 52.6 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.142 0.496 . . . . 4.81 111.109 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -141.36 122.91 15.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.173 -0.467 . . . . 6.13 110.568 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.05 61.5 2.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.216 0.532 . . . . 7.46 110.412 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -158.03 82.32 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.457 -0.792 . . . . 11.03 109.145 -177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -88.25 145.16 26.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.958 0.409 . . . . 11.5 111.058 -176.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.861 -0.966 . . . . 12.03 111.412 179.827 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.601 -0.148 . . . . 4.16 110.601 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 57.93 78.66 0.23 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.611 0.72 . . . . 3.98 109.663 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.675 ' OE2' ' HA ' ' A' ' 47' ' ' HIS . 48.1 mt-10 -129.8 178.36 6.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.343 -0.844 . . . . 1.99 110.83 -169.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.474 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 22.3 m-90 -134.53 164.59 27.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.92 -0.582 . . . . 1.52 110.084 -175.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.4 m -91.17 98.54 11.8 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.684 -0.858 . . . . 1.82 108.684 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.3 mt -107.79 152.01 24.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.017 -0.538 . . . . 1.28 111.238 -172.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -133.0 106.11 7.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.732 -0.667 . . . . 2.12 109.745 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.432 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 1.8 mp -105.87 120.47 48.97 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.349 -0.387 . . . . 1.57 110.518 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.703 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 32.0 Cg_exo -62.28 149.28 91.25 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.434 2.756 . . . . 0.46 113.095 178.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.543 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . . . -96.95 30.2 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.685 0.755 . . . . 1.19 109.591 175.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -98.15 -151.13 0.37 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.56 -1.2 . . . . 1.66 108.887 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -56.92 138.68 53.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.679 -0.489 . . . . 1.65 109.679 173.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.428 ' HB3' HD13 ' A' ' 35' ' ' ILE . 55.7 tpp -51.73 -26.23 9.0 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.779 -0.646 . . . . 1.5 110.727 176.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -55.37 -40.63 71.56 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.285 -0.871 . . . . 2.56 110.907 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.0 m -74.18 -42.22 60.21 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.944 0.402 . . . . 1.41 110.453 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.703 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -59.84 -47.41 85.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.838 -0.619 . . . . 1.13 111.797 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.31 -41.12 85.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.435 -0.348 . . . . 1.52 110.893 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.36 -38.86 92.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 2.67 110.429 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.64 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 1.07 111.022 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.2 tp -66.28 -34.93 79.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.061 0.458 . . . . 1.64 110.124 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.552 ' HB1' HD22 ' A' ' 28' ' ' LEU . . . -61.04 -54.12 48.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.036 -0.984 . . . . 1.17 110.587 -177.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -64.07 -42.47 96.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.673 -0.694 . . . . 3.81 110.947 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -62.69 -34.38 77.01 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.919 0.711 . . . . 1.76 112.919 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.3 p -113.17 3.1 15.88 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.785 -0.366 . . . . 1.26 111.75 -175.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 56.7 49.01 15.21 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.351 -0.84 . . . . 2.11 110.229 -176.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.3 p -113.65 160.64 18.38 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.349 -0.842 . . . . 1.35 110.036 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -102.54 122.65 44.78 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.567 -0.531 . . . . 2.97 109.567 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.552 HD22 ' HB1' ' A' ' 21' ' ' ALA . 2.1 mm? -101.78 122.91 44.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.466 -0.334 . . . . 2.15 110.32 -177.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.84 100.11 9.64 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.914 -0.773 . . . . 2.63 108.914 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.429 ' CD1' ' HB3' ' A' ' 28' ' ' LEU . 37.7 p90 -156.77 160.61 39.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.914 -0.584 . . . . 1.29 110.156 -175.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.433 ' O ' HG12 ' A' ' 35' ' ' ILE . 77.7 p -136.46 142.41 39.3 Favored Pre-proline 0 C--N 1.316 -0.856 0 N-CA-C 109.365 -0.606 . . . . 2.08 109.365 175.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.94 -20.2 43.53 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.747 2.298 . . . . 1.66 111.103 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -66.65 -49.19 67.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.458 -0.792 . . . . 2.96 110.691 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -73.78 -33.23 64.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.93 -0.577 . . . . 2.22 110.925 -173.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.437 HG13 ' H ' ' A' ' 37' ' ' GLY . 31.1 pt -94.74 -3.38 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.441 -0.345 . . . . 1.49 111.608 -175.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.41 8.92 40.67 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 121.448 -0.406 . . . . 1.4 113.687 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 63.23 43.35 98.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.199 -0.524 . . . . 1.1 112.73 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 pp -87.69 159.54 18.47 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.035 -0.357 . . . . 2.2 110.035 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -82.48 141.99 32.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.184 0.516 . . . . 4.32 111.249 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 p -90.67 158.04 17.13 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.386 -0.825 . . . . 0.66 110.627 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.4 m -89.56 125.29 35.16 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.559 -0.534 . . . . 1.91 109.559 173.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.543 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . . . -57.5 106.09 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 O-C-N 123.752 0.658 . . . . 1.41 111.489 -175.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -112.95 84.26 1.96 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.443 -0.947 . . . . 2.06 108.443 178.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -121.27 124.94 45.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.315 0.578 . . . . 2.89 110.487 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.59 -161.77 33.33 Favored Glycine 0 N--CA 1.441 -0.975 0 N-CA-C 110.677 -0.969 . . . . 0.43 110.677 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 58.7 mtm180 -97.11 95.73 7.97 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.84 -0.43 . . . . 3.73 109.84 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.675 ' HA ' ' OE2' ' A' ' 3' ' ' GLU . 6.9 m-70 -145.51 159.32 43.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.509 . . . . 2.6 111.017 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -85.79 175.85 8.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.674 -0.694 . . . . 1.86 110.807 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.74 -54.82 42.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 1.74 111.625 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -61.01 -45.1 96.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.445 -0.343 . . . . 2.89 111.733 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.8 m -60.26 -43.93 95.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.756 0.312 . . . . 1.62 110.837 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.6 m -60.92 -47.72 85.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.418 -0.355 . . . . 1.66 110.639 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.11 -42.82 99.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.25 -0.432 . . . . 1.3 111.224 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -48.85 77.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.923 -0.581 . . . . 3.91 110.566 -176.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.0 mt -72.96 -33.57 43.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.541 -0.299 . . . . 1.86 110.972 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.1 tp -67.08 -41.01 87.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.63 0.253 . . . . 2.18 111.044 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.402 HD13 ' CD1' ' A' ' 64' ' ' TYR . 79.1 mt -101.8 14.32 32.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 2.71 111.104 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -53.83 92.5 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.446 -0.797 . . . . 2.3 111.632 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.13 30.9 77.76 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.276 -0.488 . . . . 1.62 113.162 176.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.9 p -89.97 0.87 56.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.056 0.455 . . . . 1.76 111.608 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.4 -5.44 84.49 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.947 -0.644 . . . . 1.5 112.125 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.43 ' HA ' ' HA ' ' A' ' 75' ' ' ALA . 67.6 mt -97.09 149.73 21.63 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.456 -0.572 . . . . 1.77 109.456 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -122.68 157.2 32.77 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.406 -0.961 . . . . 4.83 108.406 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.494 ' HA ' ' O ' ' A' ' 72' ' ' THR . 51.5 p90 -141.41 127.97 20.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.466 0.651 . . . . 1.93 111.84 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -107.53 123.09 47.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.339 -0.846 . . . . 3.17 108.891 168.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.6 tt -102.87 98.53 6.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.893 0.854 . . . . 1.84 110.502 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -100.63 115.14 29.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.513 -0.767 . . . . 2.29 109.919 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.99 -111.59 4.32 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.885 -0.598 . . . . 1.45 112.076 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -112.0 12.67 20.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.188 0.518 . . . . 2.97 109.88 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.3 m -113.31 131.64 55.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.757 -0.656 . . . . 1.38 110.915 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.462 ' HB ' HD11 ' A' ' 28' ' ' LEU . 43.8 t -111.04 117.8 55.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.604 -0.726 . . . . 1.33 109.221 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.494 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 7.5 m -103.05 106.7 17.27 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.842 0.353 . . . . 1.36 110.572 -174.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.3 t -91.15 113.04 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.95 -0.568 . . . . 1.42 109.638 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.8 m -140.54 122.32 15.38 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.851 -0.613 . . . . 2.29 111.269 -175.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.43 ' HA ' ' HA ' ' A' ' 62' ' ' LEU . . . -61.1 132.35 53.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.877 0.37 . . . . 2.1 110.651 176.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.5 m -150.52 83.11 1.36 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.078 0.466 . . . . 3.1 110.792 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.97 107.62 6.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.848 -0.614 . . . . 4.81 110.349 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -164.15 179.43 6.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.154 -0.476 . . . . 6.13 110.045 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 59.85 50.36 6.99 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.7 0.625 . . . . 7.46 111.775 176.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -100.32 144.53 29.22 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.758 -0.46 . . . . 11.03 109.758 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 65.43 51.73 1.5 Allowed 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.661 0.601 . . . . 11.5 110.647 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.291 0 CA-C-O 118.625 -1.097 . . . . 12.03 111.772 178.876 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 120.847 0.356 . . . . 4.16 110.508 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -134.19 80.98 1.89 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.001 -0.545 . . . . 3.98 109.866 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.66 175.97 5.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.1 0.476 . . . . 1.99 111.14 -176.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 28.6 m-90 -133.22 157.56 45.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.619 -0.718 . . . . 1.52 109.309 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.0 t -94.42 103.91 15.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.954 0.883 . . . . 1.82 108.908 174.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -96.06 155.78 16.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.226 -0.897 . . . . 1.28 112.056 -169.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -140.25 107.73 5.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.103 -0.953 . . . . 2.12 108.87 172.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.718 HD11 HD11 ' A' ' 20' ' ' LEU . 79.2 mt -121.01 124.63 27.34 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 115.723 -0.671 . . . . 1.57 110.358 -174.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.888 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 50.1 Cg_exo -56.72 162.8 8.01 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.564 2.842 . . . . 0.46 113.559 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 42' ' ' ALA . . . -117.9 25.82 10.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.951 0.881 . . . . 1.19 109.286 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 10.8 pt20 -104.61 -149.11 0.41 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 113.839 -1.528 . . . . 1.66 109.391 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.7 p -55.76 128.67 35.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.679 0.752 . . . . 1.65 110.865 175.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.442 ' HB3' HD11 ' A' ' 35' ' ' ILE . 48.9 ttm -52.15 -29.94 24.36 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 114.558 -1.201 . . . . 1.5 112.995 -174.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -58.18 -37.96 75.76 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.5 0.185 . . . . 2.56 111.5 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.6 m -75.55 -39.12 58.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.433 0.635 . . . . 1.41 109.777 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.888 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.86 -43.81 98.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.231 -0.895 . . . . 1.13 111.765 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.504 ' O ' HD13 ' A' ' 28' ' ' LEU . 96.5 mt -65.14 -39.03 92.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.168 -0.469 . . . . 1.52 110.856 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.56 -37.72 88.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.037 0.446 . . . . 2.67 110.453 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.58 81.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.121 -0.49 . . . . 1.07 110.928 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.718 HD11 HD11 ' A' ' 8' ' ' ILE . 63.8 tp -65.46 -36.49 84.06 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.135 0.493 . . . . 1.64 109.875 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.99 -55.05 29.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.221 -0.9 . . . . 1.17 110.376 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -64.76 -34.19 77.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.635 -0.711 . . . . 3.81 111.385 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -65.91 -26.74 67.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.434 -0.348 . . . . 1.76 111.769 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.1 p -115.32 1.64 13.8 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.756 0.28 . . . . 1.26 111.756 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 58.98 39.34 23.68 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.736 -0.666 . . . . 2.11 110.745 -177.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.7 p -112.06 166.31 11.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.953 -0.567 . . . . 1.35 110.896 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -103.77 119.5 39.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.215 -0.448 . . . . 2.97 110.132 176.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.512 HD21 ' HB ' ' A' ' 71' ' ' VAL . 73.7 mt -112.18 115.19 28.42 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.023 -0.732 . . . . 2.15 109.023 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.7 mt -102.48 121.85 43.16 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.922 -0.581 . . . . 2.63 110.284 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -157.68 155.4 29.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.004 0.43 . . . . 1.29 110.91 -175.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.438 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 35.0 t -104.05 122.54 43.95 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 2.08 109.672 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -59.95 -36.75 89.1 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.548 2.832 . . . . 1.66 113.568 -173.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -75.11 -27.44 59.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.228 0.537 . . . . 2.96 110.773 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.438 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 7.0 m-20 -87.58 -1.02 57.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.91 -0.586 . . . . 2.22 111.749 -170.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.442 HD11 ' HB3' ' A' ' 13' ' ' MET . 30.4 pt -101.62 8.2 9.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.106 0.479 . . . . 1.49 110.043 174.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.76 6.09 34.74 Favored Glycine 0 C--N 1.336 0.566 0 CA-C-N 115.328 -0.851 . . . . 1.4 114.387 171.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.18 38.22 96.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.586 -0.816 . . . . 1.1 111.533 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.3 mt -83.56 157.93 22.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.665 -0.267 . . . . 2.2 110.296 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.417 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 33.6 ptt180 -79.41 143.89 34.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.169 0.509 . . . . 4.32 109.902 173.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.7 p -87.94 156.21 19.46 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.568 -0.742 . . . . 0.66 111.308 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.5 m -88.98 100.57 13.31 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.89 -0.781 . . . . 1.91 108.89 173.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.428 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . . . -56.92 112.4 1.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.344 -0.844 . . . . 1.41 111.622 -174.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.0 tp -115.06 91.61 3.67 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.289 0.566 . . . . 2.06 109.628 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -114.62 110.76 20.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.777 -0.647 . . . . 2.89 110.382 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.24 -162.07 33.21 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.043 -0.98 . . . . 0.43 111.247 -174.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -98.13 95.66 7.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.92 0.39 . . . . 3.73 109.992 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -140.05 159.92 41.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.207 -0.451 . . . . 2.6 110.778 -178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -90.5 169.24 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.718 -0.674 . . . . 1.86 109.633 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 46.6 tp -59.27 -57.76 11.6 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.302 0.376 . . . . 1.74 111.898 -172.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -60.72 -44.26 96.84 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 111.976 0.362 . . . . 2.89 111.976 -174.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.6 m -62.12 -40.59 96.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 1.62 110.87 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -62.56 -40.45 96.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.419 . . . . 1.66 110.741 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 92.2 mt -61.66 -40.41 94.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.892 -0.595 . . . . 1.3 110.306 177.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -61.78 -54.82 37.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.022 -0.535 . . . . 3.91 111.23 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.6 mt -61.89 -36.41 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 1.86 111.539 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 56' ' ' LEU . 5.3 tt -75.09 -37.11 61.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.455 -0.338 . . . . 2.18 110.53 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.6 mt -106.94 25.36 11.43 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.962 0.356 . . . . 2.71 111.962 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -48.82 -66.7 0.36 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.051 0.453 . . . . 2.3 112.125 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.1 41.16 1.62 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.735 -0.745 . . . . 1.62 112.356 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.7 p -90.6 -13.44 34.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.528 0.204 . . . . 1.76 111.312 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.37 6.18 78.28 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.777 -0.725 . . . . 1.5 112.456 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.2 mt -111.96 156.28 22.37 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.068 -0.345 . . . . 1.77 110.068 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -123.19 173.27 8.01 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.977 -0.379 . . . . 4.83 109.977 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -141.2 131.06 24.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.172 0.511 . . . . 1.93 111.44 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -100.36 112.32 24.65 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.833 -0.803 . . . . 3.17 108.833 171.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.3 tt -102.95 121.18 53.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.115 0.483 . . . . 1.84 111.002 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -129.64 95.38 3.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.709 -0.678 . . . . 2.29 109.792 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.88 -100.08 0.47 Allowed Glycine 0 CA--C 1.518 0.28 0 CA-C-N 115.761 -0.654 . . . . 1.45 112.865 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -118.16 9.56 12.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.409 0.624 . . . . 2.97 110.154 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.1 m -117.17 129.64 56.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.803 -0.635 . . . . 1.38 109.945 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.512 ' HB ' HD21 ' A' ' 28' ' ' LEU . 42.9 t -127.08 132.76 69.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.802 0.334 . . . . 1.33 110.245 -176.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.6 m -113.42 116.51 29.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.39 -0.368 . . . . 1.36 110.541 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.8 t -81.2 116.6 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.032 0.444 . . . . 1.42 109.913 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.3 m -104.26 132.94 49.97 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.967 -0.56 . . . . 2.29 110.317 -176.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.13 151.72 20.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.269 -0.423 . . . . 2.1 110.266 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.6 t -110.65 117.31 33.16 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.803 -0.444 . . . . 3.1 109.803 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.19 -69.68 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.095 -0.502 . . . . 4.81 110.609 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 179.62 -71.86 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.947 -0.57 . . . . 6.13 109.81 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -131.85 48.64 2.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.722 -0.672 . . . . 7.46 110.247 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -119.42 71.99 0.89 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.741 -0.663 . . . . 11.03 109.944 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -86.94 102.22 14.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.208 0.528 . . . . 11.5 109.649 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.311 0 CA-C-O 118.011 -1.438 . . . . 12.03 110.651 -177.512 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.882 0.373 . . . . 4.16 110.323 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -136.27 132.15 35.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.193 -0.458 . . . . 3.98 109.914 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -101.58 160.4 14.48 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.644 -0.502 . . . . 1.99 109.644 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.443 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 27.5 m-90 -126.67 148.21 49.86 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.912 -0.585 . . . . 1.52 109.918 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.9 m -96.74 98.12 9.89 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.052 -1.092 . . . . 1.82 108.052 172.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.16 157.08 18.41 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.409 -0.814 . . . . 1.28 111.759 -170.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -136.62 98.15 3.73 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.331 -0.989 . . . . 2.12 108.331 174.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.435 HG23 ' HB3' ' A' ' 16' ' ' ALA . 47.6 mm -106.99 122.17 42.47 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.812 -0.631 . . . . 1.57 111.147 -171.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.654 ' HB3' HE22 ' A' ' 11' ' ' GLN . 48.0 Cg_exo -57.41 159.54 15.94 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.338 2.692 . . . . 0.46 112.803 176.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' ' 42' ' ' ALA . . . -118.12 26.27 9.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.641 0.734 . . . . 1.19 110.365 -178.335 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.654 HE22 ' HB3' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -109.51 -144.62 0.39 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.167 -0.924 . . . . 1.66 109.502 179.771 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m -52.72 127.05 21.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.174 0.511 . . . . 1.65 110.968 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 52.1 tpp -49.65 -33.75 16.45 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 114.862 -1.063 . . . . 1.5 111.952 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.876 HD22 ' HB3' ' A' ' 32' ' ' PRO . 15.6 m120 -56.98 -33.48 67.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 2.56 111.948 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 m -79.35 -46.08 18.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.186 0.517 . . . . 1.41 110.007 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.603 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -63.91 -43.32 96.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.496 -0.774 . . . . 1.13 111.793 -176.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.8 mt -65.95 -42.98 89.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.615 -0.266 . . . . 1.52 110.909 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.51 ' O ' ' HG2' ' A' ' 22' ' ' LYS . 9.2 tt0 -62.9 -36.87 84.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.816 0.341 . . . . 2.67 110.32 178.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.538 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -64.57 -42.56 95.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 1.07 110.572 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.2 tp -65.68 -35.01 79.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.108 -0.496 . . . . 1.64 110.216 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.09 -45.43 93.56 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.234 -0.894 . . . . 1.17 110.277 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 73.1 mmtt -63.17 -48.63 77.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.659 -0.7 . . . . 3.81 110.713 178.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.538 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 86.7 mt-30 -60.02 -32.34 70.8 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.622 -0.717 . . . . 1.76 112.227 -173.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.522 HG23 HD13 ' A' ' 49' ' ' LEU . 25.6 p -110.86 -3.29 15.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.063 0.459 . . . . 1.26 111.471 -176.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t70 57.8 41.32 25.15 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.198 -0.91 . . . . 2.11 110.499 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 p -106.76 175.16 5.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.691 -0.686 . . . . 1.35 111.203 -177.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -109.01 112.49 24.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.94 -0.573 . . . . 2.97 110.25 175.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.8 mt -108.91 113.67 26.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.079 -0.51 . . . . 2.15 109.746 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -105.78 118.94 37.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.1 -0.5 . . . . 2.63 109.953 -177.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -147.95 153.74 39.43 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.705 -0.68 . . . . 1.29 109.462 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.628 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 26.6 t -98.19 104.81 24.8 Favored Pre-proline 0 C--N 1.317 -0.833 0 N-CA-C 109.756 -0.461 . . . . 2.08 109.756 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.876 ' HB3' HD22 ' A' ' 14' ' ' ASN . 12.5 Cg_endo -57.32 -30.39 87.5 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.937 2.425 . . . . 1.66 112.054 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.62 -37.32 73.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.83 -0.623 . . . . 2.96 110.414 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.628 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 4.0 m-20 -86.06 -1.43 57.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.641 0.608 . . . . 2.22 112.641 -172.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.586 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 40.5 pt -99.53 -4.92 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.631 -0.427 . . . . 1.49 111.001 178.568 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.96 15.69 56.19 Favored Glycine 0 CA--C 1.523 0.552 0 CA-C-N 116.236 -0.438 . . . . 1.4 114.13 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.62 51.72 39.68 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.795 -0.717 . . . . 1.1 112.683 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.5 mt -81.77 165.44 20.91 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.403 -0.221 . . . . 2.2 110.403 177.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -98.45 148.65 23.5 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.701 -0.481 . . . . 4.32 109.701 174.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.3 p -89.35 151.61 21.97 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.813 -0.63 . . . . 0.66 111.722 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.7 t -87.89 119.99 28.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.337 -0.847 . . . . 1.91 108.879 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.477 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . . . -59.49 100.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.941 -0.572 . . . . 1.41 111.468 -177.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.9 tp -117.4 84.43 2.15 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.346 -0.612 . . . . 2.06 109.346 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -117.31 119.66 35.81 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.36 0.6 . . . . 2.89 110.68 -177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.53 -163.63 35.01 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.506 -0.77 . . . . 0.43 111.281 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 22.3 ttt180 -103.25 109.02 20.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.898 0.349 . . . . 3.73 110.416 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -153.82 173.5 15.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.399 -0.364 . . . . 2.6 111.045 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -79.54 153.5 29.48 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.686 -0.688 . . . . 1.86 110.054 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.522 HD13 HG23 ' A' ' 24' ' ' THR . 61.1 tp -57.48 -50.53 72.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.585 0.231 . . . . 1.74 111.509 -175.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 tm0? -60.88 -44.82 96.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 2.89 110.654 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.69 -39.36 88.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.436 -0.347 . . . . 1.62 111.572 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.3 t -60.33 -49.6 76.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.3 -0.409 . . . . 1.66 110.103 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.38 -40.05 85.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.101 -0.5 . . . . 1.3 110.454 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -57.56 -46.73 83.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.518 -0.764 . . . . 3.91 110.934 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.0 mt -76.58 -41.11 34.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.031 -0.531 . . . . 1.86 111.448 -175.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.8 -43.59 71.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 2.18 111.231 -175.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.546 ' HG ' ' HB3' ' A' ' 64' ' ' TYR . 4.6 mm? -73.17 -47.02 47.29 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.506 0.558 . . . . 2.71 112.506 -174.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -50.07 117.92 2.62 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.471 0.653 . . . . 2.3 111.567 -177.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.03 -14.94 11.11 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.623 -0.717 . . . . 1.62 112.247 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 47.9 p -89.88 -8.78 51.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.702 0.287 . . . . 1.76 111.646 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.1 2.95 89.43 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.554 -0.831 . . . . 1.5 112.678 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.7 mt -102.39 164.66 11.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.779 0.323 . . . . 1.77 110.479 -177.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -116.73 132.07 56.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.11 -0.496 . . . . 4.83 109.987 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.546 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 31.1 p90 -100.41 118.21 36.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.243 0.544 . . . . 1.93 110.801 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -108.66 134.23 51.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.613 -0.721 . . . . 3.17 109.817 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.0 tt -113.82 130.97 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.267 0.556 . . . . 1.84 111.053 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -132.32 98.47 4.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.548 -0.751 . . . . 2.29 109.934 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.31 -98.44 0.32 Allowed Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.976 -0.631 . . . . 1.45 112.177 -175.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -124.89 22.44 8.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.835 0.826 . . . . 2.97 109.229 175.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.8 m -111.58 130.91 55.59 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.744 -1.116 . . . . 1.38 109.496 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.4 t -119.21 125.7 74.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.897 -0.409 . . . . 1.33 109.897 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 m -113.67 116.71 29.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.941 0.4 . . . . 1.36 110.557 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.9 t -97.94 103.53 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.984 -0.553 . . . . 1.42 110.112 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.2 t -132.56 165.14 25.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.027 -0.533 . . . . 2.29 110.438 -176.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -108.0 135.89 48.61 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.636 -0.505 . . . . 2.1 109.636 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.8 m 58.86 -164.48 0.2 Allowed 'General case' 0 CA--C 1.537 0.448 0 O-C-N 123.324 0.39 . . . . 3.1 110.154 -175.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.59 96.7 3.29 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.044 -0.41 . . . . 4.81 111.099 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.03 160.08 19.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.102 -0.499 . . . . 6.13 110.419 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.54 -81.98 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 7.46 111.51 -175.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -129.95 -78.91 0.55 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.367 -0.605 . . . . 11.03 109.367 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -92.5 -23.36 19.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.35 -0.841 . . . . 11.5 109.014 174.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.297 0 CA-C-O 118.435 -1.203 . . . . 12.03 111.028 179.91 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 109.846 -0.427 . . . . 4.16 109.846 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 59.61 50.45 7.29 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.395 0.617 . . . . 3.98 111.509 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.463 ' HB3' ' HG2' ' A' ' 46' ' ' ARG . 11.9 mt-10 -122.24 150.54 42.16 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.604 -0.726 . . . . 1.99 109.41 176.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.538 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 20.9 m-90 -134.32 159.28 41.49 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.793 -0.447 . . . . 1.52 109.793 -178.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.1 m -91.12 98.24 11.63 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.598 -0.89 . . . . 1.82 108.598 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.2 mt -97.56 151.81 19.67 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.39 -0.823 . . . . 1.28 110.704 -173.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -138.52 98.3 3.55 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.055 -0.721 . . . . 2.12 109.055 175.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.447 HG23 HD11 ' A' ' 56' ' ' LEU . 1.8 mp -102.75 124.76 37.8 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.557 -0.747 . . . . 1.57 110.776 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.75 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 49.4 Cg_exo -59.18 162.12 14.78 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.673 2.915 . . . . 0.46 113.448 179.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 42' ' ' ALA . . . -110.83 25.5 11.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.464 -0.789 . . . . 1.19 109.741 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -106.53 -158.85 0.67 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.474 -1.239 . . . . 1.66 108.971 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.8 m -50.2 132.02 23.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.012 0.434 . . . . 1.65 110.854 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.2 ttm -51.34 -25.22 5.61 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.273 -0.876 . . . . 1.5 111.191 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.584 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 39.1 t-20 -53.38 -44.99 69.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.518 -0.764 . . . . 2.56 110.459 176.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 m -77.45 -34.71 54.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.917 0.389 . . . . 1.41 110.453 -178.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.75 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.46 -41.52 97.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 1.13 111.046 177.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.3 mt -65.15 -40.76 94.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.21 -0.45 . . . . 1.52 110.457 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.584 ' HG3' ' O ' ' A' ' 14' ' ' ASN . 77.5 mt-30 -60.34 -40.17 89.71 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.88 0.371 . . . . 2.67 110.276 176.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.681 ' O ' ' HB2' ' A' ' 23' ' ' GLN . . . -66.61 -41.12 88.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.897 -0.592 . . . . 1.07 111.031 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.1 mt -67.02 -35.38 79.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.763 0.315 . . . . 1.64 110.968 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.567 ' HB3' HD12 ' A' ' 28' ' ' LEU . . . -60.11 -63.06 1.43 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.671 -0.695 . . . . 1.17 110.599 -177.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.41 -25.96 68.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 3.81 111.064 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.681 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 2.0 tp-100 -61.65 -41.8 98.02 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.183 -0.462 . . . . 1.76 110.868 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.7 p -121.74 19.44 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 1.26 111.471 -175.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 41.49 42.03 1.79 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.004 0.922 . . . . 2.11 112.304 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.7 p -98.34 170.58 8.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 1.35 111.333 -176.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.854 HE21 ' HA ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -106.62 135.75 47.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.071 -0.513 . . . . 2.97 110.093 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.567 HD12 ' HB3' ' A' ' 21' ' ' ALA . 72.3 mt -103.61 131.72 50.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.944 0.402 . . . . 2.15 110.988 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.9 tp -122.3 101.79 7.72 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.62 -0.718 . . . . 2.63 109.745 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -168.0 162.53 13.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.141 -0.482 . . . . 1.29 110.339 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.403 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 14.1 m -102.47 111.39 64.57 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.244 -0.65 . . . . 2.08 109.244 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.519 ' O ' HG12 ' A' ' 35' ' ' ILE . 51.2 Cg_exo -54.18 -38.91 88.01 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.736 2.957 . . . . 1.66 114.047 -171.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.85 -16.99 59.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.78 0.324 . . . . 2.96 111.436 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.403 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 4.9 m-20 -89.91 -0.26 57.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.257 0.465 . . . . 2.22 112.257 -173.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.519 HG12 ' O ' ' A' ' 32' ' ' PRO . 36.6 pt -98.83 0.26 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.755 -0.378 . . . . 1.49 110.651 178.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.44 19.89 49.16 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.821 -0.627 . . . . 1.4 114.049 173.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 55.73 37.72 69.94 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.168 -0.539 . . . . 1.1 112.69 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 91.5 mt -68.35 126.7 30.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.578 -0.527 . . . . 2.2 109.578 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -80.47 137.88 36.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.473 0.654 . . . . 4.32 111.148 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.4 p -92.5 163.37 13.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.126 -0.943 . . . . 0.66 110.678 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 m -87.12 140.47 29.52 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.735 -0.839 . . . . 1.91 108.735 173.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.527 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . . . -57.57 101.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.527 0.517 . . . . 1.41 110.799 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.408 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 20.3 tp -110.13 98.88 8.05 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.52 -0.548 . . . . 2.06 109.52 -178.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.499 ' HE3' ' HB2' ' A' ' 44' ' ' LYS . 15.1 ptmt -136.86 122.89 20.27 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.349 0.595 . . . . 2.89 111.132 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.53 -163.69 33.64 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.239 -0.891 . . . . 0.43 111.059 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.538 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 31.4 ttp180 -95.92 95.88 8.54 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.416 -0.587 . . . . 3.73 109.416 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -138.76 163.06 33.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.944 0.402 . . . . 2.6 111.467 -174.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -78.95 154.98 29.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.238 -0.892 . . . . 1.86 109.287 173.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.505 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 61.2 tp -56.85 -47.7 79.79 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.067 0.46 . . . . 1.74 110.639 -177.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -62.71 -34.85 77.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.794 -0.639 . . . . 2.89 110.651 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.404 ' O ' HG13 ' A' ' 55' ' ' ILE . 46.5 t -61.64 -46.43 89.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.793 -0.639 . . . . 1.62 109.829 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.7 t -60.85 -44.65 96.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 1.66 110.648 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.61 -43.01 98.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 1.3 111.103 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -66.73 -43.71 83.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.515 . . . . 3.91 111.464 -176.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 51' ' ' SER . 79.8 mt -63.76 -44.46 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.829 0.347 . . . . 1.86 110.71 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.447 HD11 HG23 ' A' ' 8' ' ' ILE . 82.8 mt -70.58 -51.76 26.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 2.18 111.869 -177.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.411 HD23 ' HB3' ' A' ' 64' ' ' TYR . 7.6 mp -95.12 23.22 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.586 0.232 . . . . 2.71 111.536 -175.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -50.45 -55.91 13.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 2.3 111.411 177.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.59 41.53 1.23 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.656 -0.783 . . . . 1.62 112.498 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.3 p -87.32 -6.53 58.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.783 0.325 . . . . 1.76 111.772 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.79 -8.62 61.65 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.708 -0.758 . . . . 1.5 112.498 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.9 mt -109.84 160.05 16.69 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.552 -0.536 . . . . 1.77 109.552 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -116.64 136.33 53.06 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.976 0.417 . . . . 4.83 110.855 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.411 ' HB3' HD23 ' A' ' 57' ' ' LEU . 22.4 p90 -99.19 145.47 27.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.598 -0.728 . . . . 1.93 109.966 178.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.523 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 35.5 tt0 -139.83 134.75 32.18 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.495 -0.557 . . . . 3.17 109.495 176.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.9 tt -120.04 135.43 60.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.977 0.418 . . . . 1.84 110.547 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -150.43 117.47 5.94 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.081 -0.711 . . . . 2.29 109.081 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.31 -107.08 1.74 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.629 -0.796 . . . . 1.45 111.365 -174.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -127.15 23.5 6.48 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.218 0.532 . . . . 2.97 109.695 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.7 m -107.86 132.72 53.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.704 -0.68 . . . . 1.38 110.648 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.5 t -112.48 117.63 55.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.526 -0.761 . . . . 1.33 109.556 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.523 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 26.3 m -107.94 131.47 54.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.815 0.34 . . . . 1.36 110.698 -176.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.1 t -114.97 106.44 20.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.175 -0.466 . . . . 1.42 109.905 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.3 t -111.31 151.13 28.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.16 -0.473 . . . . 2.29 110.369 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.39 157.27 20.55 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.964 0.411 . . . . 2.1 111.61 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.4 t -166.7 -155.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.809 -0.811 . . . . 3.1 108.809 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 63.8 77.38 0.32 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.447 0.642 . . . . 4.81 111.702 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.52 56.98 1.35 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.634 -0.712 . . . . 6.13 110.205 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 58.13 -102.93 0.16 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.561 -0.745 . . . . 7.46 111.226 -176.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -119.32 41.65 3.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.243 -0.651 . . . . 11.03 109.243 176.106 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.9 t70 63.73 45.46 4.5 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 122.011 0.91 . . . . 11.5 109.417 -174.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.971 0 CA-C-O 118.218 -1.323 . . . . 12.03 111.338 -176.774 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.8 m . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.858 0.361 . . . . 4.16 110.613 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -74.78 139.78 43.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.976 -0.557 . . . . 3.98 110.017 176.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -105.91 150.76 25.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.305 -0.407 . . . . 1.99 109.93 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 20.2 m-90 -126.09 155.58 41.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.2 -0.454 . . . . 1.52 110.78 -173.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.4 m -90.19 98.13 11.59 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.446 -0.946 . . . . 1.82 108.446 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.645 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 75.6 mt -109.24 111.08 22.47 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.317 -0.856 . . . . 1.28 110.84 -171.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -96.82 97.84 9.63 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.368 -0.975 . . . . 2.12 108.368 172.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.8 mm -98.5 123.98 48.19 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.939 -0.573 . . . . 1.57 110.926 -172.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.549 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 52.5 Cg_exo -56.06 156.44 20.18 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.248 2.632 . . . . 0.46 113.137 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.815 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . . . -113.9 30.79 6.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.96 0.886 . . . . 1.19 109.436 -178.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.596 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 9.3 pt20 -114.6 -157.42 0.63 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.432 -1.258 . . . . 1.66 109.448 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.5 t -48.26 127.29 12.53 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.181 0.515 . . . . 1.65 110.47 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.57 ' HG2' ' HB3' ' A' ' 40' ' ' SER . 51.1 mtt -50.19 -25.48 3.65 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.129 -0.941 . . . . 1.5 112.252 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -56.16 -37.44 69.53 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.106 0.254 . . . . 2.56 110.731 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.0 m -81.91 -46.1 14.53 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.916 0.388 . . . . 1.41 110.493 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.549 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -63.64 -46.49 85.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.665 -0.698 . . . . 1.13 112.101 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.0 mt -68.44 -37.25 80.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.558 -0.292 . . . . 1.52 110.639 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -61.76 -42.41 98.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.144 0.497 . . . . 2.67 110.182 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.1 88.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.779 -0.646 . . . . 1.07 110.94 178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.8 tp -65.13 -40.87 95.06 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.138 -0.483 . . . . 1.64 110.035 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.36 74.33 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.101 -0.954 . . . . 1.17 110.234 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.82 -49.06 77.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.618 -0.719 . . . . 3.81 111.732 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -67.45 -19.27 65.34 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.518 0.562 . . . . 1.76 112.518 -172.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.9 p -115.01 2.62 14.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.187 0.518 . . . . 1.26 111.003 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 t70 48.46 52.07 14.25 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.694 -1.139 . . . . 2.11 110.769 -174.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.9 p -111.71 159.46 18.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.659 -0.701 . . . . 1.35 111.163 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -103.35 109.47 21.1 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.542 -0.753 . . . . 2.97 109.106 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.6 mt -102.77 121.14 41.85 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.936 0.398 . . . . 2.15 110.392 -177.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.446 ' HB3' ' HA ' ' A' ' 72' ' ' THR . 1.8 tm? -103.26 107.67 18.58 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.391 -0.966 . . . . 2.63 108.391 178.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -142.67 154.22 44.13 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.127 -0.488 . . . . 1.29 110.083 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 t -100.19 111.62 62.65 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.304 -0.407 . . . . 2.08 110.609 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.01 -28.2 87.21 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.946 2.431 . . . . 1.66 111.712 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -75.73 -27.18 58.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.879 -0.6 . . . . 2.96 111.291 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -88.5 -19.93 25.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.598 0.237 . . . . 2.22 111.571 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.47 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 23.0 pt -92.26 -18.87 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.838 -0.43 . . . . 1.49 109.838 174.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.24 2.75 20.96 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.936 -0.574 . . . . 1.4 113.368 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.82 39.91 38.02 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.912 -0.661 . . . . 1.1 112.346 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 3.9 pp -92.41 172.69 8.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.604 -0.517 . . . . 2.2 109.604 178.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.596 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 8.8 ptp180 -82.44 137.65 34.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.345 0.593 . . . . 4.32 111.949 -174.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.57 ' HB3' ' HG2' ' A' ' 13' ' ' MET . 11.1 p -88.06 166.68 14.27 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.009 -0.996 . . . . 0.66 110.645 175.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 m -85.95 115.41 23.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.768 -0.651 . . . . 1.91 109.82 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.815 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . . . -61.21 105.88 0.55 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.869 -0.605 . . . . 1.41 111.316 -177.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.9 tp -110.91 82.94 1.67 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.205 -0.665 . . . . 2.06 109.205 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.645 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 23.5 pttm -103.53 110.41 22.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.842 -0.617 . . . . 2.89 111.134 -174.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.52 -162.28 34.03 Favored Glycine 0 N--CA 1.453 -0.228 0 CA-C-N 115.638 -0.71 . . . . 0.43 111.829 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -93.35 108.15 19.86 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.062 -0.718 . . . . 3.73 109.062 176.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -138.65 151.26 47.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.879 0.371 . . . . 2.6 110.933 -174.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -84.75 161.93 19.82 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.797 -0.816 . . . . 1.86 108.797 171.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.513 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 58.7 tp -56.71 -52.05 66.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.947 0.403 . . . . 1.74 110.401 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -58.23 -43.52 87.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.661 -0.699 . . . . 2.89 110.908 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.2 m -62.26 -46.45 88.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.98 -0.555 . . . . 1.62 110.818 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.9 m -60.13 -45.09 94.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 1.66 110.875 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.513 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 92.9 mt -60.88 -49.47 77.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.54 . . . . 1.3 111.425 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.47 -42.14 95.59 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.429 0.529 . . . . 3.91 112.429 -174.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.8 -41.21 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.946 -0.302 . . . . 1.86 110.954 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 tt -71.09 -35.91 72.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.355 0.598 . . . . 2.18 109.913 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.756 HD21 ' HD2' ' A' ' 64' ' ' TYR . 12.6 tp -72.68 -15.71 61.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.529 -0.76 . . . . 2.71 111.266 -177.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -56.3 -34.33 66.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.861 -0.608 . . . . 2.3 111.694 -176.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -116.44 11.89 16.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.248 -0.977 . . . . 1.62 113.346 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.565 ' HG1' ' HA ' ' A' ' 57' ' ' LEU . 20.4 p -102.95 -7.85 21.14 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.567 0.58 . . . . 1.76 112.567 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.89 19.05 35.31 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 121.265 -0.493 . . . . 1.5 114.177 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.8 mt -105.98 179.87 4.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.946 0.373 . . . . 1.77 110.392 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.922 ' HG3' ' HB2' ' A' ' 76' ' ' SER . 26.5 mmt180 -129.37 163.15 26.4 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.796 -0.446 . . . . 4.83 109.796 178.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.756 ' HD2' HD21 ' A' ' 57' ' ' LEU . 45.7 p90 -124.93 130.68 52.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.206 0.527 . . . . 1.93 111.321 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -107.61 112.72 25.59 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.144 -0.688 . . . . 3.17 109.144 171.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.8 tt -115.58 129.77 71.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.263 0.554 . . . . 1.84 111.452 -173.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -144.38 115.34 7.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.915 -0.584 . . . . 2.29 109.594 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.61 -104.16 0.88 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.711 -0.757 . . . . 1.45 112.017 -175.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -122.72 13.92 10.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.309 0.576 . . . . 2.97 109.659 175.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.6 m -103.29 126.64 50.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.729 -0.668 . . . . 1.38 110.135 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 21.3 t -125.61 120.16 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.836 -0.62 . . . . 1.33 109.992 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.446 ' HA ' ' HB3' ' A' ' 29' ' ' LEU . 59.0 m -109.91 116.1 31.02 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.276 -0.42 . . . . 1.36 110.126 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.1 t -81.37 122.01 35.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.377 -0.601 . . . . 1.42 109.377 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 t -136.27 165.08 26.6 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.972 0.415 . . . . 2.29 110.855 -173.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.65 119.52 38.69 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.989 -0.55 . . . . 2.1 110.171 178.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.922 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 19.3 m -153.69 166.81 31.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.415 -0.357 . . . . 3.1 110.26 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -140.46 146.18 37.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.203 -0.453 . . . . 4.81 109.919 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.21 -177.97 6.38 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.085 -0.339 . . . . 6.13 110.085 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 60.69 57.89 2.57 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.597 0.713 . . . . 7.46 110.115 -176.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.681 ' HZ2' ' HB3' ' A' ' 80' ' ' LYS . 9.2 mtpm? -86.83 44.99 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.522 -0.763 . . . . 11.03 110.98 -175.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 62.93 -87.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.524 -0.762 . . . . 11.5 112.031 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.209 -1.328 . . . . 12.03 111.325 -176.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 121.237 0.541 . . . . 4.16 111.522 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -129.59 147.91 51.44 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.084 -0.71 . . . . 3.98 109.084 175.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -101.21 147.46 26.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.428 0.633 . . . . 1.99 111.079 -177.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.401 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 24.8 m-90 -109.71 138.15 46.49 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.042 -0.981 . . . . 1.52 109.23 176.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -90.72 97.04 10.94 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.415 -0.957 . . . . 1.82 108.415 175.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.7 mt -102.04 157.02 17.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.057 -0.974 . . . . 1.28 111.488 -170.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -141.07 98.94 3.48 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.458 -0.941 . . . . 2.12 108.458 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 94.2 mt -108.18 122.81 39.44 Favored Pre-proline 0 C--N 1.315 -0.893 0 CA-C-N 115.467 -0.788 . . . . 1.57 111.048 -173.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 49.0 Cg_exo -59.84 156.45 38.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 123.896 3.064 . . . . 0.46 114.018 -177.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.448 ' HB1' ' HB2' ' A' ' 42' ' ' ALA . . . -104.62 32.56 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.005 -0.998 . . . . 1.19 109.148 173.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -100.46 -155.56 0.52 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.473 -1.24 . . . . 1.66 109.079 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 m -53.56 137.85 35.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.17 0.51 . . . . 1.65 110.331 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 51.3 tpp -49.97 -29.3 8.23 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.024 -0.989 . . . . 1.5 111.526 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -54.65 -40.77 69.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.693 -0.685 . . . . 2.56 111.16 176.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.6 m -75.95 -38.61 57.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.577 0.227 . . . . 1.41 110.607 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.423 ' HB1' ' OG ' ' A' ' 40' ' ' SER . . . -57.74 -51.01 71.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 1.13 110.755 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.65 -43.37 84.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.884 -0.598 . . . . 1.52 110.639 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.531 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 34.5 tt0 -59.81 -45.55 92.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.119 -0.491 . . . . 2.67 110.543 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.16 -35.01 78.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 1.07 110.976 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.6 tp -65.5 -42.13 92.44 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.9 0.381 . . . . 1.64 110.768 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.03 -46.27 88.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.587 -0.733 . . . . 1.17 110.631 -175.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.531 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 25.4 mtpp -63.83 -34.61 78.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.23 -0.896 . . . . 3.81 111.335 -178.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -86.72 -23.85 25.38 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.782 0.66 . . . . 1.76 112.782 -172.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.8 p -113.65 6.68 17.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.177 -0.609 . . . . 1.26 112.22 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 57.51 35.79 26.21 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.138 -0.483 . . . . 2.11 111.539 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.6 p -103.31 159.65 15.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.049 0.452 . . . . 1.35 111.782 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -103.58 119.09 38.2 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.212 -0.662 . . . . 2.97 109.212 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.482 HD21 ' HB ' ' A' ' 71' ' ' VAL . 65.2 mt -107.66 122.3 46.43 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.362 0.601 . . . . 2.15 111.589 -173.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.44 ' O ' ' HA ' ' A' ' 72' ' ' THR . 1.1 tm? -110.53 93.82 4.69 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 107.515 -1.291 . . . . 2.63 107.515 174.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.529 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 40.3 p90 -117.6 162.8 17.42 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.186 -0.461 . . . . 1.29 110.53 -174.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.403 ' CB ' ' HB3' ' A' ' 34' ' ' ASP . 23.5 m -106.25 95.28 11.05 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.503 -0.771 . . . . 2.08 110.476 -178.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.529 ' HD3' ' O ' ' A' ' 30' ' ' TYR . 17.1 Cg_exo -66.72 -37.13 22.13 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.756 2.304 . . . . 1.66 112.273 -177.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.07 -30.11 63.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.189 0.518 . . . . 2.96 109.848 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.403 ' HB3' ' CB ' ' A' ' 31' ' ' SER . 25.5 t70 -80.34 -18.06 50.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.446 -0.797 . . . . 2.22 111.598 -176.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.46 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 45.2 pt -90.64 -20.37 6.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.093 -0.643 . . . . 1.49 110.1 177.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.16 32.64 72.02 Favored Glycine 0 C--N 1.334 0.424 0 CA-C-N 115.288 -0.869 . . . . 1.4 114.045 169.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.78 87.08 0.55 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.838 -0.696 . . . . 1.1 112.505 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.2 mt -119.51 159.03 25.1 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.163 -0.31 . . . . 2.2 110.163 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.39 139.87 49.62 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.517 -0.549 . . . . 4.32 109.517 170.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.423 ' OG ' ' HB1' ' A' ' 16' ' ' ALA . 5.1 p -92.57 159.67 15.38 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.556 -0.747 . . . . 0.66 111.348 -176.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.6 t -88.29 127.03 35.46 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 107.933 -1.136 . . . . 1.91 107.933 170.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.448 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . . . -53.26 110.8 0.59 Allowed 'General case' 0 C--O 1.236 0.362 0 O-C-N 123.642 0.589 . . . . 1.41 111.213 -175.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -110.23 86.0 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.347 -0.982 . . . . 2.06 108.347 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.51 110.89 15.63 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.49 -0.777 . . . . 2.89 110.429 -175.351 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.72 -163.57 35.52 Favored Glycine 0 N--CA 1.442 -0.96 0 CA-C-N 115.523 -0.762 . . . . 0.43 111.444 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 78.8 mtp180 -102.23 110.42 22.37 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.638 -0.505 . . . . 3.73 109.638 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -144.24 156.96 44.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.492 -0.322 . . . . 2.6 110.488 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.94 162.28 26.1 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.246 -0.65 . . . . 1.86 109.246 173.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.59 -56.02 26.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.677 0.217 . . . . 1.74 111.213 -174.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -58.32 -40.33 81.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.934 0.397 . . . . 2.89 111.143 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.463 ' O ' HG13 ' A' ' 55' ' ' ILE . 4.3 m -61.83 -45.85 92.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.74 -0.664 . . . . 1.62 110.775 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -61.05 -41.11 95.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.037 -0.528 . . . . 1.66 110.953 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 97.8 mt -64.72 -39.99 94.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.064 -0.516 . . . . 1.3 110.816 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -65.19 -39.26 92.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.975 -0.557 . . . . 3.91 111.144 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 51' ' ' SER . 67.8 mt -64.42 -52.47 54.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.654 0.264 . . . . 1.86 111.232 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.79 -38.34 81.63 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.292 0.478 . . . . 2.18 112.292 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.432 ' HA ' ' OG1' ' A' ' 60' ' ' THR . 8.4 mp -104.37 11.63 34.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.292 0.478 . . . . 2.71 112.292 -174.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -56.37 -44.1 79.83 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.618 0.599 . . . . 2.3 112.618 -177.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.28 16.29 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.06 -1.067 . . . . 1.62 113.271 -173.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.432 ' OG1' ' HA ' ' A' ' 57' ' ' LEU . 11.8 p -96.17 2.23 52.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.867 0.365 . . . . 1.76 111.617 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.68 22.3 63.89 Favored Glycine 0 C--N 1.333 0.361 0 C-N-CA 121.139 -0.553 . . . . 1.5 113.285 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.7 mt -100.7 158.94 15.58 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.973 -0.38 . . . . 1.77 109.973 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.481 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 4.5 mmp_? -120.99 127.3 51.65 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.801 0.334 . . . . 4.83 110.196 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -100.42 117.6 34.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.768 -0.651 . . . . 1.93 109.635 177.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.455 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 49.1 tt0 -106.57 115.44 30.2 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 109.505 -0.554 . . . . 3.17 109.505 178.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.3 tt -98.95 114.95 38.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.563 0.697 . . . . 1.84 110.121 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -119.94 99.54 6.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.932 -1.031 . . . . 2.29 109.422 -176.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.52 -103.36 0.67 Allowed Glycine 0 CA--C 1.519 0.296 0 C-N-CA 121.034 -0.603 . . . . 1.45 112.061 -174.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -112.73 9.16 19.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.256 0.551 . . . . 2.97 109.949 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 m -105.73 136.78 44.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.702 -0.681 . . . . 1.38 110.527 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.482 ' HB ' HD21 ' A' ' 28' ' ' LEU . 47.7 t -119.27 122.28 68.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.405 -0.591 . . . . 1.33 109.405 176.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.455 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 15.2 m -103.23 114.96 29.67 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.504 -0.316 . . . . 1.36 110.307 -176.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.6 104.02 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.04 -0.527 . . . . 1.42 110.112 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.1 t -138.52 150.94 46.89 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.733 -0.667 . . . . 2.29 110.022 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.38 152.77 45.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 2.1 110.393 176.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.5 m -71.46 100.65 2.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.146 -0.479 . . . . 3.1 110.797 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.81 -44.31 64.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.288 0.566 . . . . 4.81 109.805 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -116.46 122.88 46.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.533 -0.758 . . . . 6.13 109.542 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.11 37.84 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.876 0.37 . . . . 7.46 111.654 -176.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -79.06 -63.12 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.606 -0.516 . . . . 11.03 109.606 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.3 t70 60.48 97.4 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 O-C-N 124.012 0.82 . . . . 11.5 111.835 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.337 -1.257 . . . . 12.03 111.452 177.145 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.417 ' H2 ' ' CD ' ' A' ' 3' ' ' GLU . 7.7 t . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 120.999 0.428 . . . . 4.16 110.66 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -128.52 36.61 4.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.571 0.7 . . . . 3.98 109.199 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.417 ' CD ' ' H2 ' ' A' ' 1' ' ' SER . 4.3 mp0 -111.43 170.95 7.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.872 -1.058 . . . . 1.99 109.735 -176.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.2 m-90 -118.25 149.34 41.28 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.965 -0.561 . . . . 1.52 110.498 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.6 m -91.51 98.35 11.62 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 108.019 -1.104 . . . . 1.82 108.019 172.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.513 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 76.8 mt -112.12 119.13 37.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.632 -0.713 . . . . 1.28 111.597 -170.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.472 ' HA ' ' HB3' ' A' ' 44' ' ' LYS . 14.3 t70 -95.0 115.86 27.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.261 -0.644 . . . . 2.12 109.261 169.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.623 HD12 HD21 ' A' ' 20' ' ' LEU . 35.1 mm -105.15 120.95 48.08 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-O 120.753 0.311 . . . . 1.57 110.3 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.513 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 32.4 Cg_exo -60.18 146.1 97.06 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 123.166 2.578 . . . . 0.46 112.639 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.45 29.64 4.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.635 0.731 . . . . 1.19 109.816 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -95.17 -156.76 0.53 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.998 -1.001 . . . . 1.66 109.285 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.2 m -53.55 140.73 27.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.034 0.445 . . . . 1.65 110.207 174.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 50.7 tpp -51.14 -33.65 27.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.087 -0.96 . . . . 1.5 111.615 -177.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -55.46 -38.39 68.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 2.56 111.024 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.2 t -70.57 -44.11 68.06 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.919 -0.4 . . . . 1.41 109.919 -176.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.513 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.61 -47.02 85.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.867 -0.606 . . . . 1.13 111.009 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 28' ' ' LEU . 96.3 mt -64.86 -50.35 66.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.971 -0.559 . . . . 1.52 110.999 -178.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -62.25 -37.44 85.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.786 0.327 . . . . 2.67 110.879 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.4 80.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.301 -0.409 . . . . 1.07 110.787 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.623 HD21 HD12 ' A' ' 8' ' ' ILE . 2.7 tm? -66.05 -41.45 90.8 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.352 -0.61 . . . . 1.64 109.352 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.86 -51.55 67.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.47 -0.786 . . . . 1.17 110.199 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -63.29 -51.22 66.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.019 -0.991 . . . . 3.81 111.578 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -72.73 -25.55 61.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.691 . . . . 1.76 112.806 -169.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.16 13.15 21.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.22 0.533 . . . . 1.26 110.941 -176.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 53.15 62.07 2.85 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.744 -1.116 . . . . 2.11 111.189 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.0 p -139.12 165.14 27.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.189 -0.46 . . . . 1.35 111.378 -176.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -110.85 123.11 49.47 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.397 -0.594 . . . . 2.97 109.397 175.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.557 HD23 ' HB ' ' A' ' 71' ' ' VAL . 76.7 mt -120.43 127.07 51.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.099 0.476 . . . . 2.15 111.065 -176.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -107.64 121.77 45.36 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.825 -0.625 . . . . 2.63 109.675 176.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -157.46 151.12 24.06 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.9 -0.591 . . . . 1.29 109.972 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 m -106.47 111.35 64.11 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 116.38 -0.373 . . . . 2.08 110.553 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.95 -23.64 69.12 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.993 2.462 . . . . 1.66 112.464 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -71.55 -40.94 69.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.784 -0.644 . . . . 2.96 111.326 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -88.03 -5.83 58.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.858 -0.61 . . . . 2.22 111.882 -170.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.439 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 29.9 pt -97.3 12.19 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 1.49 110.506 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.35 -6.63 5.57 Favored Glycine 0 CA--C 1.52 0.371 0 CA-C-N 115.64 -0.709 . . . . 1.4 114.686 170.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.42 49.04 21.39 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.253 -0.975 . . . . 1.1 111.088 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 58.9 mt -83.73 173.24 11.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.531 -0.335 . . . . 2.2 110.166 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.52 144.18 46.22 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.794 -0.447 . . . . 4.32 109.794 174.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 p -90.87 160.85 15.5 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.66 -0.7 . . . . 0.66 112.162 -174.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -91.88 134.02 35.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.184 -0.916 . . . . 1.91 109.127 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.19 105.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 1.41 111.457 -176.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 43' ' ' LEU . 1.3 tm? -115.78 99.61 7.43 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.828 -0.805 . . . . 2.06 108.828 176.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 30.1 pttt -135.92 126.51 27.05 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.343 0.592 . . . . 2.89 111.47 -178.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.61 -162.59 33.57 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 114.891 -1.05 . . . . 0.43 110.654 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.08 97.46 9.95 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.451 -0.574 . . . . 3.73 109.451 177.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -137.48 148.63 46.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.184 -0.462 . . . . 2.6 110.192 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -82.66 179.17 7.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.973 -0.38 . . . . 1.86 109.973 175.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.411 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 60.6 tp -58.74 -57.28 13.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.472 -0.331 . . . . 1.74 111.339 -176.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -63.61 -36.99 85.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.496 -0.32 . . . . 2.89 110.911 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.2 t -60.46 -54.31 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.434 -0.348 . . . . 1.62 110.583 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.7 p -61.96 -43.62 98.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.259 -0.428 . . . . 1.66 111.389 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 91.0 mt -60.34 -46.65 89.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.593 -0.276 . . . . 1.3 111.476 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -61.73 -42.11 98.53 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.858 0.318 . . . . 3.91 111.858 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.2 mt -73.49 -45.31 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.679 0.276 . . . . 1.86 111.178 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 tt -68.49 -46.81 68.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 2.18 111.128 -175.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.69 HD13 ' HB2' ' A' ' 62' ' ' LEU . 22.7 tp -71.07 -36.02 72.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.365 -0.38 . . . . 2.71 111.112 -174.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -46.82 111.2 0.36 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.871 -0.604 . . . . 2.3 112.389 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.18 -12.74 21.77 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.693 -0.765 . . . . 1.62 113.373 175.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.0 p -91.82 -8.12 47.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.088 0.444 . . . . 1.76 112.184 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.59 10.23 84.72 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.663 -0.779 . . . . 1.5 113.045 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.69 ' HB2' HD13 ' A' ' 57' ' ' LEU . 64.8 mt -101.05 161.16 13.79 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.964 -0.384 . . . . 1.77 109.964 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 63' ' ' ARG . 49.3 mtt180 -127.34 145.6 50.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.477 -0.329 . . . . 4.83 110.213 177.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -105.9 121.83 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.3 0.571 . . . . 1.93 110.901 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.418 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 6.5 tp-100 -97.45 105.88 18.1 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.471 -0.937 . . . . 3.17 108.471 171.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.7 tt -101.91 124.7 55.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.487 0.661 . . . . 1.84 111.662 -171.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -126.78 88.85 2.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.541 -0.754 . . . . 2.29 109.585 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.6 -98.2 0.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.731 -0.668 . . . . 1.45 112.693 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -113.08 -0.86 14.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.159 0.504 . . . . 2.97 110.543 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.2 m -108.43 132.18 54.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.788 -0.642 . . . . 1.38 109.988 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.557 ' HB ' HD23 ' A' ' 28' ' ' LEU . 50.3 t -128.23 130.25 69.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.77 0.319 . . . . 1.33 110.412 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.418 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 30.2 m -108.44 112.92 25.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.185 -0.461 . . . . 1.36 109.946 178.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -90.29 106.34 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.147 0.498 . . . . 1.42 110.115 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.1 t -112.54 147.62 36.22 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.797 -0.638 . . . . 2.29 110.55 -177.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.31 134.44 35.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.233 -0.44 . . . . 2.1 109.927 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.9 t -77.43 -21.42 53.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.541 -0.299 . . . . 3.1 110.534 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 59.8 -86.49 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.76 -0.654 . . . . 4.81 111.781 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -155.0 19.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.47 -0.332 . . . . 6.13 110.561 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -155.36 174.49 15.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.42 -0.355 . . . . 7.46 110.905 -175.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -127.42 18.81 6.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.293 0.568 . . . . 11.03 110.02 176.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -142.49 142.36 32.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.757 -0.656 . . . . 11.5 109.664 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.693 -1.059 . . . . 12.03 111.794 -179.414 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 109.616 -0.513 . . . . 4.16 109.616 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 56.99 76.46 0.31 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.685 0.615 . . . . 3.98 111.31 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -105.52 177.58 4.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.272 -0.876 . . . . 1.99 109.523 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -129.51 154.55 46.9 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.815 -0.809 . . . . 1.52 108.815 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.411 HG22 ' O ' ' A' ' 5' ' ' THR . 6.9 t -88.16 97.29 10.91 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.043 -1.095 . . . . 1.82 108.043 173.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.724 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 84.0 mt -95.26 94.68 8.02 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.336 -1.302 . . . . 1.28 109.72 -173.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.478 ' HA ' ' CB ' ' A' ' 44' ' ' LYS . 4.7 m-20 -100.93 97.76 8.31 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.826 -1.079 . . . . 2.12 108.663 -178.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.482 HD13 HD13 ' A' ' 20' ' ' LEU . 96.0 mt -109.9 125.05 31.99 Favored Pre-proline 0 C--N 1.313 -1.018 0 CA-C-N 115.227 -0.897 . . . . 1.57 111.472 -169.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.678 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 45.0 Cg_exo -58.02 158.73 20.38 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 124.077 3.184 . . . . 0.46 114.243 -175.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.07 28.94 7.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.787 -1.097 . . . . 1.19 109.434 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.445 HE21 ' HB2' ' A' ' 11' ' ' GLN . 12.2 mt-30 -99.11 -161.79 0.9 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.446 -1.252 . . . . 1.66 109.252 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 p -55.47 137.53 48.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.073 0.463 . . . . 1.65 110.077 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 34.7 mtt -50.95 -25.28 4.45 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.354 -0.839 . . . . 1.5 112.655 -178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -55.38 -43.36 75.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.635 0.255 . . . . 2.56 110.497 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.4 m -76.69 -44.58 33.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.1 0.476 . . . . 1.41 110.243 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.678 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.45 -50.78 71.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.588 -0.733 . . . . 1.13 111.907 -176.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.51 -39.16 85.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.258 -0.428 . . . . 1.52 110.7 -177.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -65.26 -34.25 77.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.015 0.436 . . . . 2.67 110.735 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -66.89 -38.79 86.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 1.07 110.294 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.482 HD13 HD13 ' A' ' 8' ' ' ILE . 65.2 tp -65.33 -34.69 78.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.826 -0.624 . . . . 1.64 109.74 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.28 95.21 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.415 -0.811 . . . . 1.17 110.248 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -64.5 -47.59 78.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.776 -0.647 . . . . 3.81 110.901 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.633 ' OE1' ' HA ' ' A' ' 6' ' ' LEU . 78.1 mt-30 -65.14 -37.26 86.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.773 -0.649 . . . . 1.76 112.579 -171.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.9 p -110.57 18.0 20.16 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.099 -0.375 . . . . 1.26 111.356 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 40.95 37.56 0.55 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.096 0.958 . . . . 2.11 112.302 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -99.97 167.28 10.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.655 -0.702 . . . . 1.35 111.273 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -106.72 118.83 37.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.806 -0.634 . . . . 2.97 110.024 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.531 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 8.5 mp -115.01 131.79 56.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.207 0.527 . . . . 2.15 110.713 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -107.57 116.84 32.67 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.548 -0.751 . . . . 2.63 109.537 177.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -152.33 142.88 22.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.955 -0.566 . . . . 1.29 109.868 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.9 t -108.14 125.62 31.59 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 116.186 -0.461 . . . . 2.08 109.793 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.33 -28.44 84.73 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.903 2.402 . . . . 1.66 111.89 176.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -71.85 -34.22 69.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 2.96 109.945 176.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -79.64 -26.31 41.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.527 -0.76 . . . . 2.22 111.027 -173.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.466 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 17.8 pt -93.78 -19.3 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.713 0.292 . . . . 1.49 110.831 177.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.58 4.49 65.56 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.066 -0.588 . . . . 1.4 113.423 175.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.2 34.75 19.84 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.594 -0.812 . . . . 1.1 112.217 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 90.1 mt -75.98 143.97 41.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.09 -0.337 . . . . 2.2 110.09 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.432 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 37.7 ptt180 -90.1 137.93 31.93 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.244 0.545 . . . . 4.32 110.326 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 p -88.5 161.19 17.13 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.485 -0.779 . . . . 0.66 111.462 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.1 m -86.54 132.37 33.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.556 -0.747 . . . . 1.91 109.726 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.4 106.16 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.7 -0.682 . . . . 1.41 111.997 -174.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 tt -116.82 93.62 4.27 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.146 -1.057 . . . . 2.06 108.146 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.724 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 21.5 pttp -131.38 121.21 24.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.398 0.618 . . . . 2.89 110.957 -178.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.26 -163.7 35.31 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.583 -0.735 . . . . 0.43 111.678 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -99.95 98.16 8.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.969 0.414 . . . . 3.73 110.094 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -137.74 173.8 11.26 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.089 -0.505 . . . . 2.6 110.186 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -95.43 171.73 8.52 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.057 -0.72 . . . . 1.86 109.057 171.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.18 -56.37 22.37 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.884 0.327 . . . . 1.74 111.884 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -57.81 -49.29 77.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 2.89 112.229 -174.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.6 m -61.79 -39.22 90.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.713 0.292 . . . . 1.62 111.624 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.3 m -61.13 -41.2 96.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.559 -0.291 . . . . 1.66 110.981 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.89 -34.34 77.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 1.3 110.74 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -59.57 -51.01 71.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 3.91 111.02 179.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.5 mt -80.61 -31.63 12.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.152 -0.476 . . . . 1.86 111.645 -174.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.449 ' HB3' HD23 ' A' ' 57' ' ' LEU . 3.5 tt -65.89 -46.72 77.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.469 -0.332 . . . . 2.18 110.927 -175.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.78 HD13 ' HB2' ' A' ' 62' ' ' LEU . 3.0 mm? -86.16 -18.39 32.37 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 121.092 -0.243 . . . . 2.71 111.03 -177.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -50.19 101.01 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 2.3 111.943 174.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.27 -17.91 26.08 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.553 -0.832 . . . . 1.62 113.582 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.9 p -92.68 -2.64 55.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.277 0.539 . . . . 1.76 111.811 -176.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.5 19.84 67.21 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 121.135 -0.555 . . . . 1.5 113.705 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.78 ' HB2' HD13 ' A' ' 57' ' ' LEU . 59.5 mt -92.22 154.48 18.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.388 -0.478 . . . . 1.77 110.277 -179.162 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HB2' ' HB2' ' A' ' 76' ' ' SER . 28.4 tpt180 -112.89 125.16 54.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.962 -0.563 . . . . 4.83 109.724 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 44.0 p90 -113.51 122.97 48.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.244 0.545 . . . . 1.93 111.311 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.438 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 1.2 mp0 -100.26 107.7 19.59 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.957 -0.757 . . . . 3.17 108.957 174.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.5 tt -109.5 125.73 66.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.061 0.458 . . . . 1.84 110.756 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -145.99 122.74 11.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.833 -0.621 . . . . 2.29 109.85 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.55 -108.03 1.65 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.707 . . . . 1.45 112.192 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.3 p-10 -121.45 17.89 11.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.457 0.646 . . . . 2.97 109.996 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 31.5 m -113.93 132.19 56.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.394 -0.821 . . . . 1.38 110.383 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.531 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 47.4 t -128.97 128.81 67.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.209 -0.451 . . . . 1.33 110.046 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.438 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 22.9 m -114.62 119.08 35.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.834 -0.432 . . . . 1.36 109.834 178.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.0 t -113.34 112.99 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.487 -0.324 . . . . 1.42 110.483 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 t -133.11 149.65 52.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.073 -0.512 . . . . 2.29 110.57 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.76 108.63 14.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.44 -0.345 . . . . 2.1 110.667 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.402 ' HB2' ' HB2' ' A' ' 63' ' ' ARG . 28.7 t -86.0 124.85 32.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.262 -0.426 . . . . 3.1 110.508 -177.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.43 132.46 35.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 4.81 110.0 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.99 158.58 17.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.446 -0.343 . . . . 6.13 110.978 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.13 -60.08 3.8 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.934 0.397 . . . . 7.46 110.862 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -97.41 134.88 40.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.954 -0.566 . . . . 11.03 109.534 176.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -144.12 122.0 12.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.192 -0.458 . . . . 11.5 110.948 -172.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.747 -1.029 . . . . 12.03 111.495 177.781 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.6 p . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 120.798 0.333 . . . . 4.16 110.957 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -112.69 110.39 20.5 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.379 -0.373 . . . . 3.98 110.473 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -103.09 163.19 12.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.04 -0.527 . . . . 1.99 109.583 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.525 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 30.1 m-90 -126.45 150.43 48.69 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.488 -0.56 . . . . 1.52 109.488 179.13 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 m -88.73 99.29 12.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.962 -0.755 . . . . 1.82 108.962 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.613 ' HA ' HE22 ' A' ' 23' ' ' GLN . 70.2 mt -101.49 148.59 25.01 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.863 -0.608 . . . . 1.28 111.65 -170.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -139.1 106.51 5.54 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.275 -1.009 . . . . 2.12 108.275 173.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.455 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 87.0 mt -115.09 125.74 28.61 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.458 -0.792 . . . . 1.57 111.187 -169.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.627 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 47.5 Cg_exo -58.52 156.63 30.55 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.646 2.897 . . . . 0.46 113.708 -177.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.518 ' HB2' ' HB1' ' A' ' 42' ' ' ALA . . . -109.94 22.21 15.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.053 -0.976 . . . . 1.19 109.676 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.494 HE21 ' CB ' ' A' ' 15' ' ' SER . 11.6 pt20 -99.43 -150.9 0.38 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.982 -1.008 . . . . 1.66 109.079 178.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.3 t -51.08 131.96 27.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.163 0.506 . . . . 1.65 110.94 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.408 ' HB3' HD12 ' A' ' 35' ' ' ILE . 46.7 tpp -50.41 -28.37 8.04 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 114.922 -1.036 . . . . 1.5 110.895 178.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -53.51 -42.61 67.52 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.541 -0.754 . . . . 2.56 111.266 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.494 ' CB ' HE21 ' A' ' 11' ' ' GLN . 8.5 m -78.23 -39.23 41.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.834 0.349 . . . . 1.41 110.58 -176.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.627 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -59.29 -45.18 91.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 1.13 111.257 -178.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.3 mt -65.44 -41.11 93.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.124 -0.489 . . . . 1.52 110.985 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -65.58 -37.21 86.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.661 0.267 . . . . 2.67 111.083 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.55 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -65.83 -41.83 91.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 1.07 110.698 178.215 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.452 HD11 HD11 ' A' ' 8' ' ' ILE . 67.0 tp -65.73 -35.07 79.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 1.64 110.148 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.0 -58.3 8.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.225 -0.898 . . . . 1.17 111.034 -176.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' HB2' ' HZ2' ' A' ' 22' ' ' LYS . 10.1 mtmp? -65.74 -22.14 66.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.957 -0.565 . . . . 3.81 112.034 -176.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.613 HE22 ' HA ' ' A' ' 6' ' ' LEU . 7.9 mt-30 -83.36 -22.58 32.76 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.634 -0.426 . . . . 1.76 111.748 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.6 p -116.54 1.54 12.93 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.758 -0.377 . . . . 1.26 111.886 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.9 t70 57.52 47.06 16.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.485 -0.78 . . . . 2.11 110.344 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 p -114.48 156.26 24.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.771 -0.65 . . . . 1.35 110.89 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -104.09 120.31 40.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.605 -0.517 . . . . 2.97 109.605 177.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mp -110.19 130.5 55.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.173 0.511 . . . . 2.15 110.941 -176.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.8 tp -112.54 111.24 21.92 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.559 -0.746 . . . . 2.63 109.453 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -151.98 151.36 31.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.379 -0.373 . . . . 1.29 110.163 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.431 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 50.6 m -96.21 107.48 35.47 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.463 -0.569 . . . . 2.08 109.463 177.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 31' ' ' SER . 35.6 Cg_exo -59.8 -37.1 88.76 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.54 2.826 . . . . 1.66 113.641 -172.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -79.23 -22.48 44.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.315 0.579 . . . . 2.96 110.523 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -81.69 -15.67 53.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.767 -0.651 . . . . 2.22 110.892 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.408 HD12 ' HB3' ' A' ' 13' ' ' MET . 24.6 pt -97.55 13.78 4.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.179 0.514 . . . . 1.49 109.868 177.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.2 -17.05 1.92 Allowed Glycine 0 C--N 1.334 0.426 0 CA-C-N 115.575 -0.739 . . . . 1.4 114.225 172.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.18 37.78 48.13 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.139 -1.029 . . . . 1.1 111.139 -174.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 pp -84.87 161.77 19.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.533 -0.543 . . . . 2.2 109.533 -178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.48 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 5.2 ptp180 -80.57 142.38 34.15 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.234 0.54 . . . . 4.32 111.048 -177.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.4 p -89.85 160.11 16.64 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.183 -0.917 . . . . 0.66 110.553 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -87.64 124.67 33.78 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.099 -0.704 . . . . 1.91 109.099 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.518 ' HB1' ' HB2' ' A' ' 10' ' ' ALA . . . -56.82 108.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.831 -0.622 . . . . 1.41 111.434 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.9 tp -111.27 87.24 2.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.45 0.643 . . . . 2.06 109.627 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -115.93 117.56 30.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.651 -0.704 . . . . 2.89 110.56 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.58 -163.58 34.91 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.204 -0.758 . . . . 0.43 111.204 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 38.4 ttp180 -115.62 103.06 10.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 117.406 0.603 . . . . 3.73 109.768 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -142.83 171.75 13.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.817 0.341 . . . . 2.6 111.183 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -72.35 164.63 26.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.487 -0.779 . . . . 1.86 110.249 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.486 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 64.2 tp -60.71 -58.32 8.96 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.103 0.478 . . . . 1.74 110.006 176.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -61.9 -34.32 75.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.428 -0.805 . . . . 2.89 111.185 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.2 t -62.28 -49.99 73.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.264 -0.425 . . . . 1.62 110.25 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.6 m -61.64 -42.25 98.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 1.66 111.106 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 96.0 mt -56.89 -44.33 82.2 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.866 0.365 . . . . 1.3 110.767 177.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 54' ' ' ARG . 41.5 ttp180 -60.29 -47.28 86.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.98 -0.555 . . . . 3.91 111.149 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.4 mt -64.18 -47.13 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.788 0.328 . . . . 1.86 111.503 -178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.52 ' HB3' HD11 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -69.25 -35.4 76.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.916 0.389 . . . . 2.18 110.912 -176.086 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.52 HD11 ' HB3' ' A' ' 56' ' ' LEU . 8.4 mp -106.49 20.86 18.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.721 -0.218 . . . . 2.71 111.54 -177.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -52.25 -38.57 58.53 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.334 0.494 . . . . 2.3 112.334 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -164.18 34.02 0.28 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.658 -0.782 . . . . 1.62 112.313 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.457 ' OG1' ' HA ' ' A' ' 57' ' ' LEU . 2.1 p -88.17 -0.49 57.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.886 0.374 . . . . 1.76 111.552 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.18 1.87 86.1 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.761 -0.733 . . . . 1.5 112.093 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.72 150.19 22.56 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.919 -0.4 . . . . 1.77 109.919 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.727 ' HB2' HG21 ' A' ' 74' ' ' THR . 49.7 mtp180 -117.76 138.37 52.09 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.094 -0.503 . . . . 4.83 109.913 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.402 ' HB3' HD23 ' A' ' 57' ' ' LEU . 34.7 p90 -103.26 117.36 34.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.529 0.68 . . . . 1.93 111.057 179.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.536 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 26.4 tt0 -108.01 113.42 26.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.327 -0.851 . . . . 3.17 109.433 174.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.4 tt -99.89 126.29 53.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.429 0.633 . . . . 1.84 110.553 -177.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -134.39 101.86 5.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.404 -0.816 . . . . 2.29 109.761 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.04 -105.52 0.79 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.913 -0.66 . . . . 1.45 112.381 -175.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -110.03 9.2 24.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.027 0.442 . . . . 2.97 110.32 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.5 m -108.1 134.38 51.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.807 -0.633 . . . . 1.38 111.127 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.9 t -112.57 112.83 42.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.77 -0.826 . . . . 1.33 108.77 175.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.536 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 9.2 m -101.18 116.86 33.81 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 110.06 -0.348 . . . . 1.36 110.06 -176.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.3 t -98.68 112.7 31.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.016 -0.538 . . . . 1.42 110.077 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . 0.727 HG21 ' HB2' ' A' ' 63' ' ' ARG . 1.9 t -110.29 130.84 55.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.011 -0.541 . . . . 2.29 109.905 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.43 131.31 35.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.077 -0.51 . . . . 2.1 110.755 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.2 p -107.39 127.06 53.24 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.863 -0.421 . . . . 3.1 109.863 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 60.23 36.51 20.84 Favored 'General case' 0 N--CA 1.463 0.192 0 O-C-N 123.582 0.551 . . . . 4.81 111.476 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.18 0.96 14.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.124 0.488 . . . . 6.13 110.305 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.66 111.62 23.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.604 -0.725 . . . . 7.46 111.011 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -94.77 -20.72 19.26 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.789 -0.819 . . . . 11.03 108.789 172.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -88.45 135.2 33.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.043 -0.98 . . . . 11.5 109.483 175.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.655 -1.081 . . . . 12.03 111.629 -176.612 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 120.917 0.389 . . . . 4.16 110.202 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -118.69 160.1 22.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.152 -0.477 . . . . 3.98 110.477 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -132.15 176.26 8.54 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.536 -0.542 . . . . 1.99 109.536 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.519 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 26.3 m-90 -126.35 148.53 49.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.755 0.312 . . . . 1.52 111.155 -172.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.8 m -89.73 103.89 16.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.663 -0.866 . . . . 1.82 108.663 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.519 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 34.9 mt -117.87 118.13 31.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.867 -0.606 . . . . 1.28 111.03 -171.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -95.62 98.59 10.61 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.739 -0.837 . . . . 2.12 108.739 171.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 41.8 mm -101.13 120.13 56.01 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.108 -0.496 . . . . 1.57 111.154 -173.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.489 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 49.1 Cg_exo -58.89 157.99 26.57 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.694 2.929 . . . . 0.46 113.546 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.55 ' HB3' ' HB1' ' A' ' 42' ' ' ALA . . . -116.72 32.01 6.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.334 -0.848 . . . . 1.19 109.599 178.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -99.62 -148.08 0.35 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.637 -1.165 . . . . 1.66 108.815 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -52.37 130.34 30.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.998 0.427 . . . . 1.65 110.632 174.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.3 tpp -50.37 -31.68 15.38 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.248 -0.887 . . . . 1.5 111.262 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.64 -40.55 65.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.311 -0.859 . . . . 2.56 110.532 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 m -75.49 -41.8 54.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.117 -0.492 . . . . 1.41 110.318 -176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.489 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.49 -45.32 93.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.789 -0.641 . . . . 1.13 111.357 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.29 -47.41 76.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.356 -0.384 . . . . 1.52 110.956 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -61.88 -39.64 92.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.306 -0.406 . . . . 2.67 110.363 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.62 88.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 1.07 110.955 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.424 ' CD1' HD11 ' A' ' 6' ' ' LEU . 64.5 tp -67.21 -42.15 84.58 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.595 0.712 . . . . 1.64 110.09 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.83 -52.81 61.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.556 -1.202 . . . . 1.17 110.346 -178.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.19 -41.34 96.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.374 -0.83 . . . . 3.81 111.63 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -76.41 -10.32 59.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.335 0.495 . . . . 1.76 112.335 -174.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.6 p -115.72 1.53 13.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.335 0.588 . . . . 1.26 110.27 173.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.0 t0 51.48 43.09 29.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.623 -1.171 . . . . 2.11 111.051 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -104.38 173.72 6.18 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.579 -0.737 . . . . 1.35 109.886 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -110.15 114.97 28.9 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.542 -0.54 . . . . 2.97 109.542 177.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.42 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 7.8 mp -109.5 122.46 47.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.108 0.48 . . . . 2.15 110.433 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 tt -106.27 117.57 34.38 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.467 -0.788 . . . . 2.63 109.463 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -150.29 148.07 28.41 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.787 -0.819 . . . . 1.29 108.787 177.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.3 t -102.63 112.83 65.98 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 116.593 -0.276 . . . . 2.08 110.268 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.14 -48.73 14.12 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 123.775 2.983 . . . . 1.66 114.034 -169.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -73.17 -21.98 60.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.91 0.385 . . . . 2.96 111.289 -175.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.32 -5.3 59.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.133 0.42 . . . . 2.22 112.133 -172.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.413 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 26.9 pt -106.56 7.68 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.931 0.396 . . . . 1.49 110.555 175.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.06 6.5 32.3 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 115.646 -0.706 . . . . 1.4 114.124 173.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.37 47.76 68.53 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.711 -0.757 . . . . 1.1 111.888 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 92.3 mt -82.82 157.73 23.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.053 -0.351 . . . . 2.2 110.053 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -96.37 146.19 24.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.053 0.454 . . . . 4.32 110.755 176.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 p -87.97 157.45 18.92 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.597 -0.729 . . . . 0.66 111.395 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.9 m -87.88 126.4 35.01 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.23 -0.656 . . . . 1.91 109.23 174.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.55 ' HB1' ' HB3' ' A' ' 10' ' ' ALA . . . -56.3 101.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.446 0.466 . . . . 1.41 111.659 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tt -117.9 91.74 3.65 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.881 -0.785 . . . . 2.06 108.881 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.519 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 25.7 pttm -119.72 122.8 42.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.389 0.614 . . . . 2.89 110.612 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.45 -162.98 34.22 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.052 -0.819 . . . . 0.43 111.052 -176.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.519 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 13.2 ttm180 -105.62 97.64 7.45 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.632 -0.507 . . . . 3.73 109.632 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -137.95 149.33 46.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.212 0.53 . . . . 2.6 111.19 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.99 151.67 46.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.891 -1.05 . . . . 1.86 111.032 175.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.71 -58.91 6.29 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.631 0.253 . . . . 1.74 111.344 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -61.26 -37.54 83.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.318 -0.401 . . . . 2.89 110.705 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.4 t -60.94 -46.68 89.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.167 -0.47 . . . . 1.62 109.849 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.8 m -61.16 -43.67 98.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 1.66 110.675 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.29 -36.66 75.97 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.119 -0.492 . . . . 1.3 110.924 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.418 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 97.3 mtt180 -69.23 -51.57 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.218 -0.447 . . . . 3.91 111.081 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.2 mm -70.17 -43.22 79.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 111.942 0.349 . . . . 1.86 111.942 -175.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.17 -53.45 53.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.66 -0.246 . . . . 2.18 110.946 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.4 mp -71.23 -27.23 63.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.585 -0.279 . . . . 2.71 111.409 -176.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 53.4 tt0 -49.13 104.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.062 0.545 . . . . 2.3 111.67 178.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.55 -16.97 12.42 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.992 -0.623 . . . . 1.62 112.898 176.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.0 p -94.04 -10.67 32.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.727 0.299 . . . . 1.76 111.799 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.12 12.74 82.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.508 -0.854 . . . . 1.5 113.079 -177.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.9 mt -96.39 150.92 20.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.287 0.543 . . . . 1.77 110.227 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.488 ' HD3' ' OG ' ' A' ' 76' ' ' SER . 8.0 mpt_? -119.35 135.13 54.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.392 -0.367 . . . . 4.83 110.423 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -100.08 147.45 25.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.063 -0.517 . . . . 1.93 110.511 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.743 HE21 ' HA ' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -128.39 111.37 13.25 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.338 -0.616 . . . . 3.17 109.338 177.198 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.9 tt -103.3 101.52 12.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.674 0.749 . . . . 1.84 110.554 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -119.05 105.49 11.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.347 -0.842 . . . . 2.29 109.665 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.73 -108.07 1.82 Allowed Glycine 0 CA--C 1.518 0.237 0 C-N-CA 121.033 -0.603 . . . . 1.45 112.357 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -112.61 8.8 19.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.275 0.56 . . . . 2.97 110.174 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.7 m -111.17 129.21 56.02 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.626 -0.715 . . . . 1.38 110.649 -176.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.559 ' HA ' ' O ' ' A' ' 65' ' ' GLN . 25.2 t -121.57 123.26 69.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.698 -0.683 . . . . 1.33 109.649 -177.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.517 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 31.4 m -106.05 125.53 51.1 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.519 -0.31 . . . . 1.36 110.349 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.1 t -100.45 95.32 3.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.544 -0.539 . . . . 1.42 109.544 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.0 t -106.33 148.53 27.92 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.802 -0.635 . . . . 2.29 110.768 -176.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.32 108.52 19.9 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.213 -0.449 . . . . 2.1 110.594 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.488 ' OG ' ' HD3' ' A' ' 63' ' ' ARG . 12.3 p -81.2 -29.8 34.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.326 0.584 . . . . 3.1 110.47 177.4 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.06 83.86 5.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.689 -0.687 . . . . 4.81 110.671 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.98 66.59 7.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.14 -0.482 . . . . 6.13 109.882 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 56.62 -151.5 0.41 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.513 -0.767 . . . . 7.46 110.339 -176.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -113.79 -62.04 1.65 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.469 -0.567 . . . . 11.03 109.469 174.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.23 58.78 4.4 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.776 0.672 . . . . 11.5 110.825 175.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.023 -1.432 . . . . 12.03 110.873 -178.781 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 120.883 0.373 . . . . 4.16 110.618 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -151.17 143.59 24.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.347 -0.388 . . . . 3.98 110.371 -177.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -105.29 156.7 17.89 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.805 -0.443 . . . . 1.99 109.805 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.459 ' HZ3' ' H ' ' A' ' 49' ' ' LEU . 22.2 m-90 -130.45 157.68 41.96 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.221 -0.445 . . . . 1.52 109.88 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 p -89.01 97.62 11.3 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 108.354 -0.98 . . . . 1.82 108.354 171.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.655 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 78.3 mt -111.0 111.48 22.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.485 -0.78 . . . . 1.28 110.887 -170.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.606 ' HA ' ' CB ' ' A' ' 44' ' ' LYS . 22.1 m-20 -95.07 100.66 12.45 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.355 -0.609 . . . . 2.12 109.355 174.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.0 mm -101.7 118.47 59.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.94 -0.573 . . . . 1.57 110.443 -177.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.596 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 35.9 Cg_exo -60.45 149.64 85.28 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.4 2.733 . . . . 0.46 113.047 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.11 29.38 3.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.52 -0.764 . . . . 1.19 109.862 176.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -97.32 -157.6 0.6 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.874 -1.057 . . . . 1.66 108.87 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.3 m -55.35 143.57 28.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.993 0.425 . . . . 1.65 110.594 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.1 tpp -50.61 -29.81 11.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.432 -0.804 . . . . 1.5 111.17 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -54.87 -38.79 67.96 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.028 -0.533 . . . . 2.56 111.054 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.7 t -79.01 -43.66 23.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.113 0.482 . . . . 1.41 109.749 -176.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.596 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -60.59 -48.53 81.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.56 -0.745 . . . . 1.13 111.748 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.71 -48.02 83.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.402 -0.363 . . . . 1.52 111.417 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -65.55 -34.75 78.98 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.183 -0.207 . . . . 2.67 111.521 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.19 92.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.941 0.4 . . . . 1.07 110.498 176.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.83 -39.5 87.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 1.64 110.422 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.488 ' HB1' HD11 ' A' ' 28' ' ' LEU . . . -62.61 -46.07 89.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.424 -0.807 . . . . 1.17 110.249 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -62.68 -40.64 97.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.183 -0.917 . . . . 3.81 111.311 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -80.07 -20.88 44.14 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.114 0.783 . . . . 1.76 113.114 -172.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.0 p -118.42 7.1 11.84 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.471 -0.491 . . . . 1.26 112.165 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.5 t70 51.59 46.85 25.88 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.577 -0.738 . . . . 2.11 111.046 -178.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 p -113.39 161.68 17.0 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.955 -0.566 . . . . 1.35 111.207 -177.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -105.34 124.3 49.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.551 -0.537 . . . . 2.97 109.551 176.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.579 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 10.3 mp -115.15 124.19 50.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.359 0.599 . . . . 2.15 110.752 -177.099 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -107.23 116.25 31.6 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.25 -0.886 . . . . 2.63 109.097 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -148.16 144.72 27.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.955 0.407 . . . . 1.29 111.053 -175.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.539 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 7.3 m -104.69 118.66 55.88 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.826 -0.625 . . . . 2.08 109.56 176.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.09 -35.98 83.52 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.392 2.728 . . . . 1.66 112.981 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.8 -28.82 62.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.33 0.586 . . . . 2.96 110.559 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.539 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 28.4 t70 -92.21 -1.63 57.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.511 -0.768 . . . . 2.22 110.597 -168.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.0 pt -109.07 -8.48 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.971 -0.559 . . . . 1.49 110.321 176.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.74 10.72 80.39 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 116.042 -0.526 . . . . 1.4 114.156 173.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.17 39.45 97.68 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.973 -0.632 . . . . 1.1 112.537 -179.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.3 mt -79.27 159.79 27.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.63 0.253 . . . . 2.2 110.688 -177.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -108.72 148.17 30.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.984 0.421 . . . . 4.32 110.159 176.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 p -90.35 159.9 16.38 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.726 -0.67 . . . . 0.66 110.466 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 t -89.29 147.12 24.28 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.773 -0.825 . . . . 1.91 108.773 173.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.98 101.86 0.05 Allowed 'General case' 0 C--O 1.233 0.186 0 O-C-N 123.507 0.504 . . . . 1.41 111.568 -176.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 tp -122.56 82.91 2.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.29 -0.633 . . . . 2.06 109.29 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.655 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 17.7 pttp -130.69 111.24 12.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.772 0.796 . . . . 2.89 110.982 -176.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.74 -159.47 30.92 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 114.908 -1.042 . . . . 0.43 110.686 -170.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 46' ' ' ARG . 26.2 mtp180 -85.42 106.39 16.74 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.686 -0.857 . . . . 3.73 108.686 176.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -135.29 143.3 46.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.011 0.434 . . . . 2.6 110.841 -174.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -80.09 146.61 31.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.379 -0.828 . . . . 1.86 109.464 172.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.459 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 62.5 tp -58.04 -57.53 12.42 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.645 0.259 . . . . 1.74 111.117 -173.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -58.69 -41.05 85.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.921 -0.581 . . . . 2.89 110.609 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.426 ' O ' HG13 ' A' ' 55' ' ' ILE . 22.4 m -61.87 -43.79 98.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.723 -0.671 . . . . 1.62 111.165 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 m -59.81 -43.58 94.42 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.848 0.356 . . . . 1.66 110.716 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.92 -42.56 97.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.796 -0.638 . . . . 1.3 110.506 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.407 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 51.6 ttp180 -64.1 -47.17 81.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.904 -0.589 . . . . 3.91 110.987 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 51' ' ' SER . 81.4 mt -61.07 -57.01 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.595 0.236 . . . . 1.86 111.28 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.44 -46.95 86.19 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.325 0.491 . . . . 2.18 112.325 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.411 HD21 ' HB3' ' A' ' 64' ' ' TYR . 7.1 mp -99.11 17.78 18.99 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.279 0.474 . . . . 2.71 112.279 -174.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.407 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 36.3 tt0 -52.39 -59.49 4.36 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.933 0.397 . . . . 2.3 111.894 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.66 34.0 4.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.399 -0.905 . . . . 1.62 112.792 -175.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.6 p -89.81 -4.71 57.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.792 0.296 . . . . 1.76 111.724 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.36 6.05 86.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 1.5 112.338 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.7 mt -102.11 165.87 10.92 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.901 -0.407 . . . . 1.77 109.901 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -110.02 125.78 53.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.29 -0.414 . . . . 4.83 110.267 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.411 ' HB3' HD21 ' A' ' 57' ' ' LEU . 12.3 p90 -100.09 116.17 31.49 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.156 -0.683 . . . . 1.93 109.156 170.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.577 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 28.8 tt0 -113.35 111.22 21.63 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.537 -0.756 . . . . 3.17 110.567 -177.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.2 tt -108.72 128.03 64.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.102 0.477 . . . . 1.84 110.447 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -143.57 116.44 8.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.836 -0.62 . . . . 2.29 109.389 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.87 -108.96 2.48 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.9 -0.666 . . . . 1.45 111.508 -174.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -123.31 19.15 9.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.434 0.635 . . . . 2.97 109.654 175.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.1 m -109.8 132.97 53.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.23 -0.895 . . . . 1.38 110.006 179.27 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.579 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 22.8 t -118.6 129.0 75.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.88 -0.6 . . . . 1.33 109.729 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.577 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 6.3 m -114.66 123.89 50.45 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.859 -0.423 . . . . 1.36 109.859 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.6 t -112.53 102.12 13.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.063 0.459 . . . . 1.42 110.118 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.3 t -136.87 150.05 48.03 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.861 -0.608 . . . . 2.29 110.216 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.37 157.93 34.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.021 0.439 . . . . 2.1 110.949 178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.0 m -69.38 -28.89 66.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.723 -0.671 . . . . 3.1 110.833 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 47.53 72.94 0.22 Allowed 'General case' 0 N--CA 1.465 0.305 0 O-C-N 124.058 0.849 . . . . 4.81 111.898 174.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.06 -38.64 43.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.231 -0.441 . . . . 6.13 110.432 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 80' ' ' LYS . . . -148.08 139.19 23.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.171 -0.468 . . . . 7.46 110.519 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.443 ' HB2' ' O ' ' A' ' 79' ' ' ALA . 44.2 mtpt 72.09 144.1 0.06 Allowed 'General case' 0 N--CA 1.467 0.392 0 O-C-N 124.06 0.85 . . . . 11.03 112.206 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -92.28 80.11 5.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.506 -0.77 . . . . 11.5 109.101 173.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 119.035 -0.87 . . . . 12.03 111.306 -175.918 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.827 0.346 . . . . 4.16 110.181 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -71.9 87.99 1.03 Allowed 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.744 -0.836 . . . . 3.98 108.744 171.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -111.39 162.73 14.74 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.757 -0.656 . . . . 1.99 110.349 -172.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.531 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 26.3 m-90 -134.82 158.59 43.81 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.925 -0.58 . . . . 1.52 109.681 -177.617 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 m -100.69 98.2 8.77 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.989 -1.115 . . . . 1.82 107.989 174.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.558 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 78.5 mt -97.4 127.05 43.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.956 -0.565 . . . . 1.28 111.713 -168.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.515 ' HA ' ' HD3' ' A' ' 44' ' ' LYS . 50.7 t0 -98.5 97.53 8.84 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.74 -0.837 . . . . 2.12 108.74 173.409 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.484 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 44.9 mm -103.61 124.26 38.57 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.156 -0.474 . . . . 1.57 110.593 -176.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.663 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 35.4 Cg_exo -62.24 155.76 54.79 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 123.344 2.696 . . . . 0.46 112.721 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.728 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . . . -108.74 19.85 19.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.589 0.709 . . . . 1.19 109.93 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -98.8 -157.79 0.63 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.085 -0.962 . . . . 1.66 109.327 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.5 t -49.7 132.43 21.78 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.819 0.342 . . . . 1.65 110.389 178.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.438 ' HG2' ' HG ' ' A' ' 17' ' ' LEU . 51.6 ttm -53.58 -22.77 9.13 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.572 -0.74 . . . . 1.5 111.271 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -50.47 -48.71 56.56 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.7 -0.682 . . . . 2.56 110.69 172.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.0 m -75.67 -36.15 60.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.942 0.401 . . . . 1.41 110.558 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.663 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.7 -53.47 53.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 1.13 112.387 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.438 ' HG ' ' HG2' ' A' ' 13' ' ' MET . 91.1 mt -64.17 -41.82 96.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.756 0.312 . . . . 1.52 110.971 -176.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -64.46 -34.26 77.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.395 -0.366 . . . . 2.67 110.866 177.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.04 -43.53 82.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.444 -0.344 . . . . 1.07 110.841 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.66 -40.29 95.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 1.64 110.65 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.751 ' HB1' HD21 ' A' ' 28' ' ' LEU . . . -62.47 -52.58 62.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.279 -0.873 . . . . 1.17 110.411 -177.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -64.44 -30.38 71.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.36 -0.836 . . . . 3.81 111.73 -176.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -79.61 -22.67 43.36 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.085 0.402 . . . . 1.76 112.085 -176.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.0 p -116.98 10.48 14.02 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.937 -0.305 . . . . 1.26 111.589 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 56.67 35.74 26.61 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.739 -0.664 . . . . 2.11 110.967 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.422 ' OG1' ' HA ' ' A' ' 21' ' ' ALA . 18.2 p -105.84 177.9 4.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.136 0.493 . . . . 1.35 111.66 -175.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -123.56 126.02 45.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.499 -0.773 . . . . 2.97 109.898 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.751 HD21 ' HB1' ' A' ' 21' ' ' ALA . 3.4 mm? -105.95 120.55 42.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.747 0.308 . . . . 2.15 110.572 179.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.3 mt -108.2 110.29 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.536 -0.542 . . . . 2.63 109.536 175.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -156.27 163.42 39.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.319 -0.401 . . . . 1.29 110.318 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.441 ' HB2' ' OD2' ' A' ' 34' ' ' ASP . 14.0 m -121.23 140.96 32.08 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 109.368 -0.604 . . . . 2.08 109.368 175.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.419 ' HA ' HG12 ' A' ' 35' ' ' ILE . 31.6 Cg_exo -59.5 -22.24 65.51 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.956 2.437 . . . . 1.66 112.475 -177.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -73.89 -14.52 61.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.987 -0.551 . . . . 2.96 111.461 178.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' OD2' ' HB2' ' A' ' 31' ' ' SER . 38.3 m-20 -91.81 -16.4 26.84 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.107 0.48 . . . . 2.22 109.713 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.731 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 26.8 pt -107.18 -11.78 10.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.776 -0.647 . . . . 1.49 110.805 -173.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.3 5.73 29.86 Favored Glycine 0 CA--C 1.52 0.384 0 CA-C-N 116.24 -0.436 . . . . 1.4 113.937 173.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.574 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 66.56 35.92 90.66 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.932 -0.651 . . . . 1.1 112.473 -178.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.731 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 2.6 pp -103.4 170.18 8.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.026 0.441 . . . . 2.2 110.722 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -93.7 139.2 31.09 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.841 -0.618 . . . . 4.32 110.581 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.4 p -88.04 168.25 12.98 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.238 -0.892 . . . . 0.66 110.953 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.7 m -86.72 129.33 34.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.884 -0.598 . . . . 1.91 109.632 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.728 ' HB2' ' HB3' ' A' ' 10' ' ' ALA . . . -57.08 103.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.8 -0.636 . . . . 1.41 111.222 -177.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.55 84.22 2.15 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.161 -0.681 . . . . 2.06 109.161 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.558 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 19.9 ttpt -114.67 103.87 11.42 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.85 -0.614 . . . . 2.89 110.288 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.29 -163.51 21.29 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 115.292 -0.867 . . . . 0.43 111.123 -177.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 39.9 ttm180 -124.18 103.94 8.55 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.912 0.387 . . . . 3.73 110.396 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -141.14 171.51 13.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.789 -0.641 . . . . 2.6 109.591 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -70.05 170.12 12.05 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.945 -0.391 . . . . 1.86 109.945 172.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.41 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 60.7 tp -59.25 -58.09 10.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.778 0.323 . . . . 1.74 110.719 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -62.1 -35.48 78.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.911 -0.586 . . . . 2.89 110.928 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.444 ' O ' HG12 ' A' ' 55' ' ' ILE . 44.8 t -62.14 -51.78 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.859 -0.61 . . . . 1.62 110.427 178.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -60.96 -41.44 96.35 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.182 -0.463 . . . . 1.66 111.105 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 97.0 mt -57.77 -46.05 85.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.505 . . . . 1.3 111.471 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -67.08 -47.36 71.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.406 . . . . 3.91 111.08 -175.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 51' ' ' SER . 45.8 mm -60.49 -30.07 45.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.283 -0.417 . . . . 1.86 111.358 -176.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.9 tt -84.5 -62.92 1.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.297 -0.41 . . . . 2.18 111.331 -177.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.414 HD23 ' HB3' ' A' ' 64' ' ' TYR . 8.5 mp -70.47 -29.97 66.66 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.878 0.695 . . . . 2.71 112.878 -169.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -49.72 -46.31 50.08 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.956 0.408 . . . . 2.3 111.387 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.77 -27.54 73.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.89 -0.671 . . . . 1.62 112.798 -176.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.9 p -92.89 17.75 10.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.309 0.485 . . . . 1.76 112.309 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.72 40.98 95.6 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 121.328 -0.463 . . . . 1.5 113.933 174.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.5 mt -127.82 164.22 22.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.996 0.398 . . . . 1.77 110.217 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -113.23 127.34 56.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.015 -0.365 . . . . 4.83 110.015 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.414 ' HB3' HD23 ' A' ' 57' ' ' LEU . 17.7 p90 -100.6 120.15 39.61 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.172 0.511 . . . . 1.93 110.374 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.404 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 33.7 tt0 -103.91 110.46 22.6 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.803 -0.443 . . . . 3.17 109.803 171.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.9 tt -100.56 123.7 53.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.1 -0.5 . . . . 1.84 110.426 -177.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -136.85 105.52 5.84 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.608 -0.516 . . . . 2.29 109.608 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.26 -109.97 3.15 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.988 -0.625 . . . . 1.45 112.255 -174.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -112.91 7.76 18.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.186 0.517 . . . . 2.97 109.663 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.2 m -107.48 130.82 54.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.462 -0.79 . . . . 1.38 110.429 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.554 ' HB ' HD13 ' A' ' 28' ' ' LEU . 40.0 t -117.89 125.3 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.152 -0.477 . . . . 1.33 109.732 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.404 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 19.3 m -108.34 116.8 32.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.322 -0.399 . . . . 1.36 110.212 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.4 t -88.21 115.69 28.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.178 -0.465 . . . . 1.42 110.089 179.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.1 m -108.56 135.95 48.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.913 -0.585 . . . . 2.29 110.142 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.5 128.03 34.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.837 0.351 . . . . 2.1 110.226 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.3 m -63.16 131.43 48.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.666 -0.697 . . . . 3.1 111.557 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -179.93 24.92 0.0 OUTLIER 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.882 0.739 . . . . 4.81 110.662 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.43 2.36 20.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.085 0.402 . . . . 6.13 112.085 -176.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 62.68 20.22 11.91 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.101 0.476 . . . . 7.46 111.459 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.587 ' HZ3' ' HB2' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -170.57 54.39 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.041 -1.096 . . . . 11.03 108.041 177.279 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -86.08 110.06 19.26 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.877 -1.056 . . . . 11.5 110.958 -168.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.857 0 CA-C-O 118.786 -1.008 . . . . 12.03 111.809 176.918 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.073 -0.343 . . . . 4.16 110.073 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -59.41 115.82 3.52 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.018 0.437 . . . . 3.98 109.836 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.475 ' HB3' ' HG2' ' A' ' 46' ' ' ARG . 40.7 mt-10 -100.22 152.44 20.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.851 -0.613 . . . . 1.99 110.098 -178.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.471 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 20.5 m-90 -127.94 153.52 46.6 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.787 -0.642 . . . . 1.52 109.613 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.5 m -91.06 97.67 11.31 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.293 -1.003 . . . . 1.82 108.293 174.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.502 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 89.2 mt -95.42 107.73 19.89 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.883 -0.599 . . . . 1.28 110.881 -173.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -93.25 97.71 10.8 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.653 -0.869 . . . . 2.12 108.653 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.6 mm -107.51 119.45 50.6 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.492 -0.776 . . . . 1.57 110.502 -175.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.587 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 31.4 Cg_exo -60.9 145.38 99.13 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.093 2.528 . . . . 0.46 113.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.569 ' HB1' ' HB3' ' A' ' 42' ' ' ALA . . . -97.2 27.28 4.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.389 -0.823 . . . . 1.19 109.953 176.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -93.8 -155.21 0.44 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.98 -1.009 . . . . 1.66 109.047 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 m -53.2 137.75 33.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.079 0.466 . . . . 1.65 110.353 175.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.429 ' HB3' HD12 ' A' ' 35' ' ' ILE . 58.5 tpp -47.96 -31.56 5.42 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.073 -0.967 . . . . 1.5 111.924 -178.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -56.67 -41.65 77.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.965 -0.561 . . . . 2.56 111.864 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 m -72.03 -40.91 68.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.99 0.424 . . . . 1.41 110.156 -176.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.587 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.75 -50.79 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.652 -0.703 . . . . 1.13 111.784 -179.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.16 -39.88 86.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.471 -0.331 . . . . 1.52 111.118 -176.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -62.98 -36.59 84.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.175 0.512 . . . . 2.67 110.468 176.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.85 91.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.811 -0.631 . . . . 1.07 110.514 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.551 HD22 HD21 ' A' ' 28' ' ' LEU . 59.6 tp -66.1 -38.89 89.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.221 0.534 . . . . 1.64 110.014 -179.27 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.61 -48.12 82.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.354 -0.839 . . . . 1.17 110.387 -177.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -66.11 -46.27 78.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.88 -1.054 . . . . 3.81 111.47 177.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.84 -42.16 99.63 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.19 0.811 . . . . 1.76 113.19 -173.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 p -109.93 8.96 24.48 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.428 -0.509 . . . . 1.26 112.334 -174.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.6 t70 54.28 59.29 4.28 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.817 0.818 . . . . 2.11 110.532 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.12 159.82 39.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.912 -0.585 . . . . 1.35 109.881 -178.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -106.36 125.72 51.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.874 -0.417 . . . . 2.97 109.874 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.725 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 8.7 mp -116.19 123.64 48.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.29 -0.414 . . . . 2.15 110.332 -177.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 29' ' ' LEU . 3.9 mm? -108.59 119.33 39.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.044 -0.526 . . . . 2.63 110.057 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.548 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 49.9 p90 -151.67 151.86 32.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.078 -0.51 . . . . 1.29 110.186 179.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.57 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 4.1 m -96.69 118.84 64.77 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.026 -0.534 . . . . 2.08 109.654 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 31' ' ' SER . 32.4 Cg_exo -58.97 -28.83 88.88 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.036 2.49 . . . . 1.66 112.69 -176.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -75.75 -23.54 56.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.871 -0.604 . . . . 2.96 111.132 177.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.57 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 3.4 m-20 -98.53 -0.18 43.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.74 0.274 . . . . 2.22 111.74 -172.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.525 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 34.3 pt -98.78 6.47 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.873 -0.417 . . . . 1.49 109.873 178.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.23 8.02 21.8 Favored Glycine 0 C--N 1.331 0.265 0 CA-C-N 115.478 -0.783 . . . . 1.4 114.438 172.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.99 36.01 71.67 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 121.088 -0.577 . . . . 1.1 112.344 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 4.1 pp -97.47 166.09 11.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.53 0.205 . . . . 2.2 110.621 -175.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -89.91 142.49 27.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.178 0.513 . . . . 4.32 110.22 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 p -83.38 160.66 21.57 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.46 -0.791 . . . . 0.66 111.923 -174.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.2 t -89.5 103.44 16.08 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.373 -0.973 . . . . 1.91 108.373 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.569 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . . . -55.82 118.76 4.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.554 -0.748 . . . . 1.41 112.333 -173.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.53 84.74 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.941 -1.133 . . . . 2.06 107.941 173.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.502 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 59.6 tttp -108.49 102.62 11.69 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.186 -0.916 . . . . 2.89 110.282 -173.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.92 -163.76 34.9 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.562 -0.828 . . . . 0.43 112.422 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.475 ' HG2' ' HB3' ' A' ' 3' ' ' GLU . 20.1 ttp180 -107.93 99.56 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.547 -0.538 . . . . 3.73 109.547 -178.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -139.29 168.21 20.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.868 0.366 . . . . 2.6 111.012 -178.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.54 169.55 17.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.46 -0.791 . . . . 1.86 109.251 171.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.14 -58.7 7.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.768 0.318 . . . . 1.74 110.876 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -64.99 -30.98 72.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 2.89 112.029 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -60.85 -50.81 71.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.247 0.546 . . . . 1.62 109.912 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 m -61.89 -45.24 94.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.505 -0.771 . . . . 1.66 110.825 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.505 HD12 HD12 ' A' ' 66' ' ' ILE . 13.4 mt -55.88 -48.68 75.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.083 -0.508 . . . . 1.3 111.844 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -60.53 -49.03 79.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.399 -0.364 . . . . 3.91 111.409 -177.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.5 mt -72.83 -34.45 46.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.754 0.312 . . . . 1.86 111.459 -174.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 tt -71.12 -49.68 41.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.516 -0.311 . . . . 2.18 110.696 -177.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.89 ' HG ' ' HB3' ' A' ' 64' ' ' TYR . 4.5 mm? -77.02 -36.89 55.89 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.188 0.44 . . . . 2.71 112.188 -173.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -50.0 110.09 0.36 Allowed 'General case' 0 C--O 1.236 0.362 0 O-C-N 123.219 0.324 . . . . 2.3 111.616 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.64 65.73 1.49 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.986 -0.626 . . . . 1.62 112.234 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.8 p -144.43 -33.59 0.39 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.005 0.431 . . . . 1.76 110.898 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 112.14 -15.8 25.38 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.685 -0.966 . . . . 1.5 110.685 -173.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 79.6 mt -108.44 154.46 21.85 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.067 -0.345 . . . . 1.77 110.067 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -118.63 137.35 53.34 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.881 -0.414 . . . . 4.83 109.881 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.89 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 16.9 p90 -100.18 118.26 36.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.353 0.597 . . . . 1.93 110.929 -178.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.52 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 16.5 mm100 -108.82 134.14 51.92 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.687 -0.688 . . . . 3.17 109.983 173.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.505 HD12 HD12 ' A' ' 53' ' ' LEU . 57.5 mt -108.23 106.71 21.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.174 0.512 . . . . 1.84 109.753 177.23 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -114.41 105.39 13.06 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.281 -0.637 . . . . 2.29 109.281 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.79 -110.91 3.77 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.061 -0.59 . . . . 1.45 112.161 -174.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -114.03 23.77 12.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.79 0.805 . . . . 2.97 109.053 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.0 m -118.81 137.52 53.34 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.952 -1.022 . . . . 1.38 110.497 -173.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.725 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 34.3 t -108.46 117.53 54.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.089 -0.708 . . . . 1.33 109.089 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.52 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 19.2 m -104.45 113.1 26.44 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.8 0.333 . . . . 1.36 110.139 -177.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.548 ' HB ' ' HB3' ' A' ' 30' ' ' TYR . 39.9 t -95.39 98.12 7.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.843 -0.617 . . . . 1.42 109.414 178.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.8 t -114.16 146.92 39.68 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.712 -0.676 . . . . 2.29 109.898 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.23 134.51 51.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.615 -0.266 . . . . 2.1 110.786 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.0 m -64.3 107.88 1.45 Allowed 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.474 -0.565 . . . . 3.1 109.474 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 62.33 57.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.423 -0.808 . . . . 4.81 109.917 -173.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -57.59 -61.02 2.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.471 -0.786 . . . . 6.13 110.97 179.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 52.1 60.29 3.93 Favored 'General case' 0 C--O 1.232 0.171 0 O-C-N 123.595 0.56 . . . . 7.46 111.412 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -89.06 95.59 10.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.337 -0.392 . . . . 11.03 110.64 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 60.58 -93.18 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.394 -0.821 . . . . 11.5 111.506 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.254 -1.303 . . . . 12.03 111.229 -178.039 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.731 0.3 . . . . 4.16 111.202 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -99.72 81.29 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.108 0.48 . . . . 3.98 110.61 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -119.96 152.48 37.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.976 0.417 . . . . 1.99 111.068 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.616 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 23.6 m-90 -126.35 153.51 44.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.595 -0.73 . . . . 1.52 109.593 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.0 m -89.62 99.16 12.22 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.43 -0.582 . . . . 1.82 109.43 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.611 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 26.6 mt -106.09 110.08 22.22 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.674 -0.694 . . . . 1.28 110.963 -172.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -93.53 98.58 11.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.246 -0.65 . . . . 2.12 109.246 172.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.444 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 40.8 mm -100.38 123.01 47.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.813 0.339 . . . . 1.57 111.237 -176.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.772 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 34.4 Cg_exo -64.35 162.16 31.55 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.599 2.866 . . . . 0.46 113.443 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -113.15 31.58 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.781 0.8 . . . . 1.19 109.794 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -103.41 -151.89 0.44 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.709 -1.132 . . . . 1.66 109.717 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 m -54.38 132.48 44.24 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.043 -0.526 . . . . 1.65 110.213 173.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.1 tpp -48.46 -32.13 7.33 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 114.907 -1.042 . . . . 1.5 111.516 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -53.46 -42.64 67.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.773 -0.648 . . . . 2.56 111.226 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.4 m -74.38 -41.54 60.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.937 0.399 . . . . 1.41 110.43 -176.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.772 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.12 -44.84 95.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.898 -0.592 . . . . 1.13 111.38 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.89 -46.99 73.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.258 -0.428 . . . . 1.52 111.279 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -61.63 -35.78 78.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 2.67 110.573 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.97 90.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 1.07 110.676 176.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.585 HD21 HD12 ' A' ' 53' ' ' LEU . 47.0 tp -64.58 -38.05 89.67 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.339 0.59 . . . . 1.64 109.673 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.04 99.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.754 -1.112 . . . . 1.17 109.96 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -61.12 -40.96 95.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.599 -0.728 . . . . 3.81 111.089 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.45 -35.08 78.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.082 -0.508 . . . . 1.76 112.313 -177.321 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.453 HG22 HD13 ' A' ' 49' ' ' LEU . 12.6 p -117.08 3.93 12.73 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.666 0.617 . . . . 1.26 112.666 -173.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.38 37.55 29.05 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.333 0.587 . . . . 2.11 110.995 -175.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.0 p -98.92 157.11 16.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.665 -0.698 . . . . 1.35 111.101 -176.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -103.59 120.74 41.49 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.72 -0.673 . . . . 2.97 109.762 176.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.538 ' CD2' ' HB ' ' A' ' 71' ' ' VAL . 63.4 mt -104.61 121.04 42.7 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.088 -0.506 . . . . 2.15 109.753 -177.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -97.25 109.14 21.95 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.321 -0.622 . . . . 2.63 109.321 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.542 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 32.1 p90 -163.63 163.36 24.42 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.413 -0.812 . . . . 1.29 109.201 -177.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.44 ' HB2' ' OD2' ' A' ' 34' ' ' ASP . 48.7 m -126.43 116.28 23.16 Favored Pre-proline 0 C--N 1.316 -0.879 0 CA-C-O 120.907 0.384 . . . . 2.08 110.462 178.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 31' ' ' SER . 31.7 Cg_exo -59.83 -18.94 51.97 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.218 2.612 . . . . 1.66 112.298 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -71.41 -37.09 71.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.792 -0.64 . . . . 2.96 109.958 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.44 ' OD2' ' HB2' ' A' ' 31' ' ' SER . 83.2 m-20 -72.12 -18.22 61.92 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.65 -0.704 . . . . 2.22 112.056 -177.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.53 HG13 ' H ' ' A' ' 37' ' ' GLY . 36.9 pt -99.35 -10.66 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.739 -0.384 . . . . 1.49 111.137 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.96 16.26 61.55 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 121.176 -0.535 . . . . 1.4 113.337 176.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.53 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 79.11 65.52 1.8 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.723 -0.751 . . . . 1.1 112.613 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.9 mt -86.04 154.3 21.52 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.04 -0.356 . . . . 2.2 110.04 176.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -96.7 142.0 29.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.89 0.376 . . . . 4.32 110.037 173.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.6 p -89.12 155.1 19.65 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.856 -0.611 . . . . 0.66 111.229 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.6 t -88.63 131.3 35.04 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.082 -0.71 . . . . 1.91 109.082 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.29 100.73 0.07 Allowed 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.649 0.593 . . . . 1.41 111.722 -177.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.3 mt -118.09 84.26 2.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.844 -0.616 . . . . 2.06 109.759 175.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.611 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 45.2 pttt -116.62 116.32 27.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.553 0.692 . . . . 2.89 111.197 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.82 -163.0 33.94 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 114.896 -1.047 . . . . 0.43 111.054 -176.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.616 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 9.8 ptm180 -120.41 113.02 19.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.967 0.383 . . . . 3.73 110.596 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -155.31 -179.88 8.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.719 0.295 . . . . 2.6 111.148 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -67.58 144.56 55.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.436 -0.802 . . . . 1.86 111.031 178.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.453 HD13 HG22 ' A' ' 24' ' ' THR . 44.1 tp -60.33 -60.12 4.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.596 0.236 . . . . 1.74 110.888 -176.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.71 ' HG3' ' HE2' ' A' ' 64' ' ' TYR . 9.6 tt0 -57.76 -34.69 69.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.205 0.526 . . . . 2.89 110.581 -177.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.7 t -64.38 -46.1 84.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.38 -0.827 . . . . 1.62 111.268 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.9 p -62.5 -48.2 80.62 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 111.406 0.15 . . . . 1.66 111.406 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.585 HD12 HD21 ' A' ' 20' ' ' LEU . 6.3 mp -59.57 -30.6 68.76 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.627 0.251 . . . . 1.3 111.277 176.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.537 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 57.8 ttp180 -61.75 -35.99 79.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.516 -0.311 . . . . 3.91 110.339 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.1 mt -74.18 -50.11 29.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.994 0.426 . . . . 1.86 110.665 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.96 -51.23 60.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.703 -0.68 . . . . 2.18 111.265 -173.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.482 ' HA ' ' OG1' ' A' ' 60' ' ' THR . 10.2 mp -72.93 -26.97 61.58 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.011 -0.276 . . . . 2.71 111.439 -175.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.537 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 9.0 tt0 -45.1 -49.97 11.41 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.352 0.408 . . . . 2.3 111.811 172.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.56 -20.71 73.87 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.812 -0.708 . . . . 1.62 113.031 -175.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.482 ' OG1' ' HA ' ' A' ' 57' ' ' LEU . 12.2 p -99.56 5.27 46.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.665 0.269 . . . . 1.76 111.718 -176.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.34 26.96 59.94 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 121.375 -0.44 . . . . 1.5 113.355 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.87 161.88 13.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.082 0.468 . . . . 1.77 110.974 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -121.35 149.62 42.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.741 -0.663 . . . . 4.83 109.969 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.71 ' HE2' ' HG3' ' A' ' 50' ' ' GLN . 9.2 p90 -131.35 125.37 32.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.283 0.563 . . . . 1.93 110.809 -178.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 12.8 mt-30 -104.45 119.24 38.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.334 -0.848 . . . . 3.17 109.185 175.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 18.5 mt -111.28 120.9 62.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.273 0.559 . . . . 1.84 111.013 -177.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -134.6 103.47 5.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.386 -0.824 . . . . 2.29 109.476 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.27 -101.68 0.85 Allowed Glycine 0 C--N 1.328 0.119 0 C-N-CA 121.06 -0.591 . . . . 1.45 112.065 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -122.5 18.43 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.062 -0.718 . . . . 2.97 109.062 174.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.8 m -110.0 118.98 37.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.253 -0.885 . . . . 1.38 109.775 -176.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.538 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 23.9 t -122.46 129.3 75.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.982 0.42 . . . . 1.33 110.321 -177.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 8.7 m -106.91 113.68 27.31 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.344 -0.389 . . . . 1.36 110.428 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.542 ' HB ' ' HB3' ' A' ' 30' ' ' TYR . 38.4 t -92.93 94.63 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.356 -0.609 . . . . 1.42 109.356 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.8 t -113.24 146.57 39.1 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.781 -0.645 . . . . 2.29 110.616 -174.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.18 140.88 31.43 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.164 -0.471 . . . . 2.1 110.164 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 m -71.74 94.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.068 0.461 . . . . 3.1 110.313 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -146.32 58.05 1.2 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.993 -0.549 . . . . 4.81 110.341 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.71 136.1 57.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.577 -0.738 . . . . 6.13 110.607 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.42 131.37 46.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.211 -0.449 . . . . 7.46 110.333 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -62.0 142.61 57.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.267 -0.424 . . . . 11.03 110.687 -177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -142.85 88.25 2.04 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.178 -0.675 . . . . 11.5 109.178 177.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.922 -0.932 . . . . 12.03 111.315 -177.567 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.998 0.428 . . . . 4.16 110.772 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -90.98 60.64 4.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.667 0.746 . . . . 3.98 109.826 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -100.7 154.92 18.21 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.998 -1.001 . . . . 1.99 108.765 177.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.566 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 15.2 m-90 -134.56 160.94 36.48 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.501 -0.318 . . . . 1.52 110.365 -175.266 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.4 m -94.82 97.98 10.42 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.012 -1.107 . . . . 1.82 108.012 172.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.714 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 83.7 mt -104.42 117.57 34.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.719 -0.673 . . . . 1.28 111.072 -171.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -98.17 107.3 19.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.223 -0.444 . . . . 2.12 110.273 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.503 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 1.7 mp -101.88 125.75 36.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.249 -0.432 . . . . 1.57 110.091 178.305 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.923 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 29.9 Cg_exo -64.88 161.25 37.25 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.687 2.925 . . . . 0.46 113.759 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.44 33.64 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.308 -0.86 . . . . 1.19 109.714 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 65.8 mt-30 -96.4 -164.99 1.21 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.146 -0.934 . . . . 1.66 108.81 177.481 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.5 m -55.98 144.42 28.65 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.558 -0.534 . . . . 1.65 109.558 169.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.439 ' HB3' HD13 ' A' ' 35' ' ' ILE . 52.2 tpp -49.78 -23.53 1.88 Allowed 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.643 0.777 . . . . 1.5 111.626 -179.05 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -55.19 -47.37 75.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 2.56 110.783 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.4 m -76.56 -36.92 57.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.572 -0.285 . . . . 1.41 110.556 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.923 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -57.33 -52.27 66.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.243 -0.435 . . . . 1.13 111.336 177.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.34 -32.87 70.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.418 -0.355 . . . . 1.52 110.72 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -62.29 -48.72 78.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.484 . . . . 2.67 110.385 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.494 ' O ' ' HB2' ' A' ' 23' ' ' GLN . . . -65.52 -34.31 77.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.865 -0.607 . . . . 1.07 110.476 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.3 tp -66.62 -41.53 88.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.97 0.414 . . . . 1.64 110.173 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.95 85.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.543 -0.753 . . . . 1.17 110.155 -175.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.791 ' HE2' ' HA ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -65.9 -25.67 67.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.852 -1.067 . . . . 3.81 110.896 178.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.494 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 6.7 tt0 -93.53 -25.42 17.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.74 0.644 . . . . 1.76 112.74 -168.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.1 p -117.2 -0.51 12.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 1.26 111.612 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.3 t70 58.01 44.16 19.96 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.457 -0.792 . . . . 2.11 110.447 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.04 167.52 10.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.96 -0.564 . . . . 1.35 109.825 -178.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -98.17 117.32 32.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.915 0.388 . . . . 2.97 109.964 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.528 HD12 ' HB ' ' A' ' 71' ' ' VAL . 4.4 mm? -108.19 114.9 29.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.85 -0.614 . . . . 2.15 110.678 -177.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -106.4 113.31 26.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 2.63 109.521 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -141.95 143.06 33.05 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.202 -0.454 . . . . 1.29 110.42 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.627 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 14.5 m -102.04 114.97 65.33 Favored Pre-proline 0 C--N 1.315 -0.908 0 CA-C-N 115.764 -0.653 . . . . 2.08 109.958 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -56.95 -41.23 77.52 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.604 2.869 . . . . 1.66 113.333 -174.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.478 ' OE2' ' HB3' ' A' ' 31' ' ' SER . 0.0 OUTLIER -78.29 -22.82 47.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.544 -0.298 . . . . 2.96 111.183 -179.84 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.627 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 33.0 t70 -83.99 -26.41 29.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.829 0.347 . . . . 2.22 110.671 -177.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.439 HD13 ' HB3' ' A' ' 13' ' ' MET . 27.3 pt -96.84 -3.23 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.368 -0.378 . . . . 1.49 110.468 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.3 5.09 33.31 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 115.854 -0.612 . . . . 1.4 113.761 174.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 62.27 36.62 93.3 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.048 -0.596 . . . . 1.1 112.436 -178.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.91 157.35 36.44 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.909 -0.404 . . . . 2.2 109.909 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.552 ' H ' ' HD2' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -86.54 139.22 31.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.227 0.536 . . . . 4.32 110.598 -178.75 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 p -89.34 155.51 19.31 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.529 -0.76 . . . . 0.66 111.269 -177.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m -89.55 130.8 35.81 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.575 -0.898 . . . . 1.91 108.575 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.21 112.87 0.88 Allowed 'General case' 0 C--O 1.236 0.351 0 O-C-N 123.633 0.583 . . . . 1.41 111.973 -173.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.436 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 1.7 tm? -109.68 92.43 4.05 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.853 -1.166 . . . . 2.06 107.853 174.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.714 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 9.9 ptmt -136.53 118.56 15.35 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.6 0.714 . . . . 2.89 111.978 -176.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.47 -163.83 35.33 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 114.969 -1.014 . . . . 0.43 110.771 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.566 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 20.2 ttt180 -99.29 96.41 7.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.162 0.481 . . . . 3.73 109.815 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -137.78 160.54 38.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.973 -0.558 . . . . 2.6 109.674 -177.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -83.62 168.13 16.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.535 -0.543 . . . . 1.86 109.535 173.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.53 -52.95 63.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.127 0.267 . . . . 1.74 111.405 -175.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -57.24 -49.29 76.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 2.89 111.497 -177.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.407 ' O ' HG12 ' A' ' 55' ' ' ILE . 68.1 m -61.2 -44.2 97.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.437 -0.347 . . . . 1.62 111.365 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.9 m -60.1 -43.55 95.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.713 0.292 . . . . 1.66 110.95 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.98 -43.13 99.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 1.3 110.917 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -67.47 -48.36 67.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.975 -0.557 . . . . 3.91 111.535 -177.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 51' ' ' SER . 47.1 mm -67.41 -25.77 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.967 0.413 . . . . 1.86 110.831 -178.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.585 ' HB3' HD13 ' A' ' 57' ' ' LEU . 2.7 tt -74.72 -55.2 6.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.465 -0.334 . . . . 2.18 110.226 178.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.585 HD13 ' HB3' ' A' ' 56' ' ' LEU . 6.7 mp -95.98 25.52 4.71 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.692 -0.231 . . . . 2.71 111.296 -177.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -50.15 -57.62 7.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 2.3 112.147 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.63 32.19 3.24 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.278 -0.963 . . . . 1.62 112.775 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.9 p -91.82 2.05 56.77 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.242 0.46 . . . . 1.76 112.242 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.81 23.78 72.62 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.871 -0.681 . . . . 1.5 112.925 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.448 ' HB2' HD23 ' A' ' 57' ' ' LEU . 88.4 mt -114.4 161.74 17.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.703 -0.48 . . . . 1.77 109.703 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.98 ' HB2' ' HB3' ' A' ' 76' ' ' SER . 11.6 tpp180 -111.05 124.32 51.94 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.809 0.338 . . . . 4.83 110.367 -179.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.421 ' HB3' HD21 ' A' ' 57' ' ' LEU . 41.0 p90 -103.59 117.03 33.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.887 -0.597 . . . . 1.93 109.854 172.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.412 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 36.0 tt0 -106.98 111.68 24.29 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.841 -0.618 . . . . 3.17 109.739 177.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.8 tt -110.8 109.84 29.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.4 0.619 . . . . 1.84 110.317 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -129.52 102.08 6.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.614 -0.721 . . . . 2.29 109.686 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.37 -110.52 3.51 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.753 -0.737 . . . . 1.45 111.785 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -109.35 9.28 25.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.062 0.458 . . . . 2.97 110.537 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.6 m -105.54 121.06 43.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.837 -0.62 . . . . 1.38 110.778 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.528 ' HB ' HD12 ' A' ' 28' ' ' LEU . 44.6 t -120.23 120.32 62.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.437 -0.579 . . . . 1.33 109.437 176.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.0 m -114.14 126.28 54.9 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.77 0.319 . . . . 1.36 110.758 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.513 HG13 HD22 ' A' ' 57' ' ' LEU . 84.6 t -116.1 108.2 24.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 1.42 110.593 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.0 t -141.14 161.43 37.88 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.819 -0.628 . . . . 2.29 109.973 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.77 125.68 25.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.737 0.303 . . . . 2.1 110.926 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.98 ' HB3' ' HB2' ' A' ' 63' ' ' ARG . 12.2 p -85.39 82.01 8.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.097 0.475 . . . . 3.1 111.554 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -116.52 39.8 3.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.775 -0.648 . . . . 4.81 109.696 175.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.47 113.87 11.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.601 -0.727 . . . . 6.13 111.626 -174.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -113.88 105.14 12.91 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.793 -0.64 . . . . 7.46 109.309 177.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.55 19.05 2.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.098 0.475 . . . . 11.03 110.999 -175.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -147.3 14.68 1.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.753 0.787 . . . . 11.5 109.357 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.56 -1.134 . . . . 12.03 111.28 -174.344 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.547 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 20.3 m . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 120.974 0.416 . . . . 4.16 111.61 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -81.06 98.5 8.01 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.994 -1.113 . . . . 3.98 107.994 168.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.426 ' OE2' ' HA ' ' A' ' 47' ' ' HIS . 45.3 mt-10 -108.48 168.08 9.58 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.454 -0.794 . . . . 1.99 111.51 -167.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.58 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 18.6 m-90 -140.0 163.43 32.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.949 -1.023 . . . . 1.52 108.788 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.6 m -96.01 98.78 10.64 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.248 -1.019 . . . . 1.82 108.248 174.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt -87.74 157.11 19.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.436 -0.802 . . . . 1.28 111.297 -172.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -138.15 98.07 3.54 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.371 -0.831 . . . . 2.12 108.796 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.702 HD12 HD11 ' A' ' 20' ' ' LEU . 69.0 mt -117.71 118.0 35.36 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 116.007 -0.542 . . . . 1.57 110.849 -175.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.797 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 42.8 Cg_exo -59.13 165.4 8.83 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 123.763 2.975 . . . . 0.46 113.914 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.608 ' HB3' ' HB1' ' A' ' 42' ' ' ALA . . . -119.06 41.45 3.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.067 -0.97 . . . . 1.19 109.156 177.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -114.75 -151.02 0.47 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.32 -1.309 . . . . 1.66 108.777 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 p -53.15 132.6 38.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.675 0.75 . . . . 1.65 111.305 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.407 ' HB3' HD12 ' A' ' 35' ' ' ILE . 5.5 tpt -47.01 -29.74 2.25 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 114.056 -1.429 . . . . 1.5 111.722 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -53.39 -47.74 69.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.371 -0.832 . . . . 2.56 111.455 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.0 m -76.67 -41.94 43.67 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.775 0.321 . . . . 1.41 110.704 -174.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.797 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -58.4 -51.0 71.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.844 -0.616 . . . . 1.13 111.918 -177.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.5 mt -67.02 -39.92 87.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.467 -0.333 . . . . 1.52 110.494 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -62.38 -37.42 85.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.22 -0.445 . . . . 2.67 110.404 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.2 -41.06 86.44 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.926 -0.579 . . . . 1.07 110.764 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.702 HD11 HD12 ' A' ' 8' ' ' ILE . 62.6 tp -64.66 -31.35 72.53 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.081 0.467 . . . . 1.64 110.133 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.45 -53.8 51.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.223 -0.899 . . . . 1.17 110.942 -177.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -64.48 -40.54 95.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 3.81 111.778 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -66.6 -24.34 66.31 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.551 0.575 . . . . 1.76 112.551 -173.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.2 p -111.78 -10.65 14.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.963 0.411 . . . . 1.26 111.176 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 t70 62.12 36.81 14.97 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.346 -0.843 . . . . 2.11 110.254 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.589 HG22 HD12 ' A' ' 49' ' ' LEU . 39.8 p -104.16 173.36 6.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.304 -0.862 . . . . 1.35 110.479 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.556 ' O ' ' HA ' ' A' ' 70' ' ' THR . 28.1 tt0 -108.55 119.41 39.45 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.368 -0.604 . . . . 2.97 109.368 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.462 ' CD2' ' HB ' ' A' ' 71' ' ' VAL . 45.5 mt -107.43 133.93 51.22 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.567 -0.453 . . . . 2.15 110.879 -175.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -112.94 109.88 19.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.708 -0.678 . . . . 2.63 109.247 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -152.03 144.35 24.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.113 -0.494 . . . . 1.29 110.013 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.2 t -109.84 115.27 55.56 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.301 -0.409 . . . . 2.08 110.387 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.61 -37.26 83.18 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.843 3.028 . . . . 1.66 113.618 -177.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -69.63 -41.33 75.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.994 0.426 . . . . 2.96 110.778 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -81.72 -5.29 57.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.848 -0.615 . . . . 2.22 111.901 -170.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.614 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 35.9 pt -99.55 -8.71 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.799 -0.36 . . . . 1.49 110.88 177.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.66 20.84 68.54 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 121.187 -0.53 . . . . 1.4 113.036 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.467 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 61.92 55.89 25.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.904 -0.665 . . . . 1.1 112.616 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 87.4 mt -66.97 163.9 18.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.771 0.32 . . . . 2.2 110.96 177.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -115.12 138.96 50.31 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.971 -0.751 . . . . 4.32 108.971 169.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.9 p -88.85 156.74 18.75 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.783 -0.644 . . . . 0.66 111.604 -175.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.8 m -89.71 122.11 32.51 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.355 -0.98 . . . . 1.91 108.355 170.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.608 ' HB1' ' HB3' ' A' ' 10' ' ' ALA . . . -56.05 110.77 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.541 0.525 . . . . 1.41 111.67 -173.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -111.66 90.64 3.39 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.722 -0.844 . . . . 2.06 108.722 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -124.78 104.5 8.67 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.624 0.726 . . . . 2.89 110.25 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.99 -165.83 33.99 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.32 -0.854 . . . . 0.43 111.043 -176.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.58 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 14.3 ttt180 -107.09 111.55 24.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 117.056 0.428 . . . . 3.73 110.6 -178.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . 0.426 ' HA ' ' OE2' ' A' ' 3' ' ' GLU . 42.2 m-70 -154.64 173.02 16.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.662 -0.244 . . . . 2.6 110.506 176.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.547 ' OD1' ' HA ' ' A' ' 1' ' ' SER . 8.8 m-20 -72.78 168.78 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.979 -0.555 . . . . 1.86 110.822 177.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.589 HD12 HG22 ' A' ' 26' ' ' THR . 8.8 tt -61.1 -59.69 4.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.433 -0.349 . . . . 1.74 110.178 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -65.24 -30.4 71.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.43 -0.35 . . . . 2.89 111.551 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.455 ' OG ' ' HB2' ' A' ' 48' ' ' ASP . 50.4 m -63.68 -45.25 90.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.691 0.281 . . . . 1.62 110.659 177.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.2 t -59.81 -46.94 87.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 1.66 110.063 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.23 -39.85 80.17 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.846 -0.616 . . . . 1.3 111.161 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -64.22 -46.83 82.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.384 -0.371 . . . . 3.91 111.221 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.7 mt -70.97 -31.34 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.085 0.469 . . . . 1.86 110.737 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.443 ' O ' HD21 ' A' ' 56' ' ' LEU . 5.3 tt -76.41 -33.65 58.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.11 -0.496 . . . . 2.18 109.75 178.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.54 HD22 ' HD1' ' A' ' 64' ' ' TYR . 14.6 tp -64.26 -44.85 90.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 2.71 110.669 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -46.73 109.72 0.22 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.64 -0.709 . . . . 2.3 111.402 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.47 -20.9 17.87 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.918 -0.658 . . . . 1.62 113.095 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.5 p -94.17 -10.85 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 117.213 0.507 . . . . 1.76 112.243 -175.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.46 17.29 39.45 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 121.325 -0.464 . . . . 1.5 113.958 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.7 mt -102.62 176.46 5.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.073 0.436 . . . . 1.77 110.858 -176.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -126.05 133.07 51.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.837 -0.431 . . . . 4.83 109.837 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.54 ' HD1' HD22 ' A' ' 57' ' ' LEU . 45.9 p90 -100.42 118.66 37.09 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.827 -0.749 . . . . 1.93 110.987 178.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -102.48 112.41 25.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.089 -0.959 . . . . 3.17 109.65 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.1 tt -104.61 114.28 43.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.445 0.64 . . . . 1.84 110.368 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -128.4 112.76 14.75 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.539 -0.755 . . . . 2.29 109.939 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.48 -112.17 4.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.995 -0.621 . . . . 1.45 111.802 -176.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -115.42 15.53 16.78 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.642 -0.873 . . . . 2.97 108.642 175.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.556 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 35.0 m -110.38 134.45 52.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.224 -0.898 . . . . 1.38 110.303 -177.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.462 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 18.1 t -119.77 117.48 53.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.17 -0.678 . . . . 1.33 109.17 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 36.4 m -106.8 119.99 40.8 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.282 -0.417 . . . . 1.36 110.343 -175.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 34.5 t -88.9 100.21 10.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.073 -0.714 . . . . 1.42 109.073 177.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.9 t -115.41 161.41 18.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.943 0.401 . . . . 2.29 110.484 -172.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.4 162.21 28.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.015 -0.539 . . . . 2.1 110.353 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 65.7 m -77.2 53.29 0.98 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.831 0.348 . . . . 3.1 111.758 -177.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.45 -32.14 68.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.313 0.578 . . . . 4.81 109.484 174.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.69 62.78 0.67 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.265 -0.88 . . . . 6.13 109.487 173.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.23 59.72 4.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.373 0.606 . . . . 7.46 110.859 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -145.26 72.28 1.32 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.517 -0.765 . . . . 11.03 109.06 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.47 8.69 23.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.828 -0.624 . . . . 11.5 110.668 -177.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.098 0 CA-C-O 117.716 -1.602 . . . . 12.03 110.297 177.683 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.9 m . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 120.733 0.301 . . . . 4.16 110.495 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -131.26 145.73 52.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.354 -0.385 . . . . 3.98 110.376 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -108.22 157.21 18.53 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.426 -0.583 . . . . 1.99 109.426 175.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.45 ' HZ3' ' H ' ' A' ' 49' ' ' LEU . 22.7 m-90 -125.71 145.71 50.06 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.187 0.518 . . . . 1.52 110.62 -175.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -95.62 99.14 11.04 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.51 -0.922 . . . . 1.82 108.51 178.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 68.9 mt -100.7 121.53 41.8 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.562 -0.744 . . . . 1.28 111.349 -170.332 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -92.37 98.06 11.25 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.416 -0.586 . . . . 2.12 109.416 173.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 47.9 mm -103.81 119.75 53.53 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.242 -0.435 . . . . 1.57 110.281 -178.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.856 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 18.4 Cg_exo -68.97 147.68 68.48 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.201 2.601 . . . . 0.46 113.434 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.629 ' HB1' ' HB3' ' A' ' 42' ' ' ALA . . . -96.85 26.59 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.386 -0.824 . . . . 1.19 109.963 176.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 15.3 mt-30 -95.77 -156.6 0.53 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.776 -1.102 . . . . 1.66 108.677 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.4 t -51.79 131.43 30.56 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.822 -0.436 . . . . 1.65 109.822 171.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 51.7 ttm -51.61 -26.97 9.9 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.391 -0.822 . . . . 1.5 111.801 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.499 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 8.8 t30 -55.41 -38.94 69.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.415 -0.357 . . . . 2.56 110.558 175.58 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.5 t -71.43 -42.15 68.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.576 -0.527 . . . . 1.41 109.576 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.856 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.46 -41.85 97.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.418 -0.81 . . . . 1.13 111.537 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.79 -40.13 76.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.305 -0.407 . . . . 1.52 111.083 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 14' ' ' ASN . 24.4 mt-30 -59.13 -41.6 88.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.221 0.534 . . . . 2.67 110.228 174.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.38 -42.74 87.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.609 -0.723 . . . . 1.07 110.84 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.35 -47.96 74.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 1.64 110.988 -176.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.49 98.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.798 -0.637 . . . . 1.17 110.269 -175.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.431 ' HB3' ' HE2' ' A' ' 22' ' ' LYS . 31.4 ttpt -60.09 -41.31 92.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.75 -1.114 . . . . 3.81 111.39 178.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -77.49 -33.51 54.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.01 0.745 . . . . 1.76 113.01 -171.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.8 p -111.24 3.01 18.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.729 0.64 . . . . 1.26 112.729 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 56.36 38.27 29.58 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.953 -0.567 . . . . 2.11 111.092 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 p -107.17 158.24 17.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.238 -0.437 . . . . 1.35 111.176 -176.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -97.18 123.91 41.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.123 -0.489 . . . . 2.97 109.903 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.524 HD23 ' HB ' ' A' ' 71' ' ' VAL . 86.8 mt -108.02 116.26 31.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.347 -0.388 . . . . 2.15 110.032 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -103.04 109.8 21.48 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.866 -0.79 . . . . 2.63 108.866 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -156.84 158.88 37.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.821 -0.627 . . . . 1.29 109.936 -177.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 p -103.76 111.57 65.19 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 116.119 -0.491 . . . . 2.08 110.26 175.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.74 -26.92 75.62 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.119 2.546 . . . . 1.66 113.268 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -70.24 -18.18 63.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.664 0.269 . . . . 2.96 111.098 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.27 -10.18 56.8 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.892 0.331 . . . . 2.22 111.892 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.427 HG13 ' H ' ' A' ' 37' ' ' GLY . 37.7 pt -103.69 -28.29 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.63 -0.428 . . . . 1.49 110.598 174.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.97 11.27 50.53 Favored Glycine 0 C--N 1.335 0.488 0 CA-C-N 116.039 -0.528 . . . . 1.4 113.428 174.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.427 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 82.31 47.43 6.08 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.948 -0.644 . . . . 1.1 112.419 -178.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 pp -87.81 154.67 20.36 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.75 -0.463 . . . . 2.2 109.75 176.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 25.3 ptt-85 -83.21 126.67 32.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.391 0.615 . . . . 4.32 111.108 -175.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 p -86.34 161.05 18.91 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.448 -0.796 . . . . 0.66 110.45 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.0 m -90.57 114.15 26.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.176 -0.465 . . . . 1.91 109.767 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.629 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . . . -58.15 112.17 1.44 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.862 -0.608 . . . . 1.41 112.068 -175.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.7 tp -109.96 83.31 1.73 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.265 -0.643 . . . . 2.06 109.265 174.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 1.3 tmtp? -101.36 116.02 31.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.891 -0.595 . . . . 2.89 109.614 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.13 -163.7 35.4 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.531 -0.842 . . . . 0.43 112.392 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -97.48 104.68 16.72 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.67 -0.493 . . . . 3.73 109.67 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -138.29 144.37 40.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.23 -0.441 . . . . 2.6 110.891 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.75 161.71 29.93 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.896 -0.779 . . . . 1.86 108.896 169.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.45 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 43.5 tp -55.55 -51.02 68.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.838 0.29 . . . . 1.74 110.852 -175.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -60.0 -38.47 82.69 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.239 -0.437 . . . . 2.89 111.187 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.4 t -62.75 -51.89 65.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.876 -0.602 . . . . 1.62 110.43 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.6 t -61.79 -49.7 75.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.727 -0.67 . . . . 1.66 111.205 -176.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.01 -38.64 83.25 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.186 0.439 . . . . 1.3 112.186 -174.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.414 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 59.4 ttt180 -72.17 -47.59 49.67 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.82 -0.352 . . . . 3.91 110.946 -176.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.9 mm -65.85 -37.1 79.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 1.86 110.976 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.8 tp -71.9 -30.17 65.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.036 -0.529 . . . . 2.18 111.095 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.905 HD21 ' HD1' ' A' ' 64' ' ' TYR . 13.7 tp -70.82 -44.44 66.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 2.71 110.996 -178.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.414 ' HG3' ' O ' ' A' ' 54' ' ' ARG . 26.9 mt-30 -46.81 106.7 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.57 -0.741 . . . . 2.3 112.148 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.91 -20.65 8.09 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.698 -0.763 . . . . 1.62 113.045 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.0 p -91.76 -7.97 48.14 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.43 0.53 . . . . 1.76 112.43 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.16 17.36 61.28 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.995 -0.621 . . . . 1.5 113.293 -178.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.5 mt -105.78 173.65 6.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.752 0.311 . . . . 1.77 110.616 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -119.47 130.87 55.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.133 -0.485 . . . . 4.83 110.416 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.905 ' HD1' HD21 ' A' ' 57' ' ' LEU . 16.7 p90 -99.89 118.69 36.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.304 0.574 . . . . 1.93 109.923 175.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.523 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -100.17 109.23 21.49 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.002 -0.74 . . . . 3.17 109.002 174.545 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.8 tt -105.88 113.19 42.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.596 0.712 . . . . 1.84 110.476 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -132.57 100.06 4.84 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.572 -0.74 . . . . 2.29 109.917 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.2 -106.27 1.47 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.916 -0.659 . . . . 1.45 112.465 -177.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -111.13 7.97 21.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.456 0.646 . . . . 2.97 109.82 178.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.2 m -105.57 120.39 41.51 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.24 -0.891 . . . . 1.38 110.563 -176.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.524 ' HB ' HD23 ' A' ' 28' ' ' LEU . 47.6 t -116.27 122.86 70.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.543 -0.54 . . . . 1.33 109.543 178.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.523 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 6.0 m -115.31 127.56 55.52 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.554 -0.294 . . . . 1.36 110.725 -176.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.0 t -98.67 105.4 17.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.694 -0.484 . . . . 1.42 109.694 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.1 m -110.86 140.8 45.0 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.926 -0.579 . . . . 2.29 110.187 -176.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.26 124.98 28.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.712 0.291 . . . . 2.1 110.722 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.0 m -81.35 124.97 29.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.832 0.348 . . . . 3.1 110.573 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.39 146.91 23.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.123 -0.489 . . . . 4.81 111.324 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -101.11 158.86 15.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.854 -0.612 . . . . 6.13 110.129 176.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 55.32 38.34 30.2 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.441 0.639 . . . . 7.46 110.353 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -90.05 -16.01 30.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.566 -0.743 . . . . 11.03 110.545 -177.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -142.26 -32.23 0.51 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.799 -0.637 . . . . 11.5 110.195 -175.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.387 -1.23 . . . . 12.03 111.413 176.772 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.9 m . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 120.784 0.326 . . . . 4.16 110.229 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -78.61 144.88 35.07 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.499 -0.556 . . . . 3.98 109.499 176.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -109.35 157.96 18.38 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.168 0.508 . . . . 1.99 111.004 -176.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 22.3 m-90 -136.97 155.21 50.01 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.365 -0.834 . . . . 1.52 109.15 175.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 m -95.93 98.34 10.32 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.475 -0.935 . . . . 1.82 108.475 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.9 mt -95.57 118.47 32.34 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.265 -0.88 . . . . 1.28 111.056 -169.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -94.31 98.16 10.72 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.936 -0.764 . . . . 2.12 108.936 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.451 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 49.5 mm -106.06 128.02 27.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.2 -0.455 . . . . 1.57 110.841 -175.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.652 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 23.9 Cg_exo -66.7 155.33 70.98 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 123.203 2.602 . . . . 0.46 112.694 176.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.21 30.09 5.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.66 0.743 . . . . 1.19 109.707 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.406 HE21 ' HB2' ' A' ' 11' ' ' GLN . 17.4 mt-30 -101.15 -162.81 0.97 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.701 -1.136 . . . . 1.66 109.681 -177.19 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.6 m -56.84 142.25 41.69 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.926 0.393 . . . . 1.65 109.992 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.4 mtt -47.37 -26.69 1.37 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.132 -0.94 . . . . 1.5 112.947 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -52.64 -46.81 67.27 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.285 0.365 . . . . 2.56 111.193 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.5 m -79.45 -42.6 25.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 1.41 110.546 -176.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.652 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -60.25 -48.01 83.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.845 -0.616 . . . . 1.13 111.828 -177.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.86 -38.33 82.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.802 0.334 . . . . 1.52 110.669 -178.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -62.02 -42.92 99.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.048 0.451 . . . . 2.67 110.588 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.86 -41.22 87.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.874 -0.603 . . . . 1.07 111.055 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.1 tp -65.86 -40.04 91.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.908 0.385 . . . . 1.64 110.934 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.14 -54.79 32.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.561 -0.745 . . . . 1.17 110.832 -175.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -66.54 -21.08 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.616 -0.72 . . . . 3.81 112.087 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -81.16 -24.7 37.39 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.684 0.253 . . . . 1.76 111.684 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.6 p -117.77 3.66 12.27 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.714 -0.394 . . . . 1.26 111.884 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 58.15 33.8 23.52 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.075 -0.511 . . . . 2.11 111.021 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.436 HG22 HD12 ' A' ' 49' ' ' LEU . 32.6 p -104.75 162.4 13.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.22 -0.445 . . . . 1.35 110.955 -176.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.813 ' HA ' HE21 ' A' ' 27' ' ' GLN . 0.0 OUTLIER -105.66 116.45 31.96 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.574 -0.528 . . . . 2.97 109.574 175.712 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.517 HD22 ' HB ' ' A' ' 71' ' ' VAL . 74.9 mt -105.59 114.75 29.1 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.519 -0.548 . . . . 2.15 109.519 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.9 tp -103.74 115.15 29.95 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.993 -0.549 . . . . 2.63 109.527 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -136.2 170.93 15.23 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.663 -0.699 . . . . 1.29 109.681 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.1 m -130.86 134.41 25.96 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 110.106 -0.331 . . . . 2.08 110.106 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -48.93 -52.41 8.75 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.008 2.472 . . . . 1.66 112.747 -174.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.515 ' CD ' ' H ' ' A' ' 33' ' ' GLU . 1.2 pm0 -71.2 -9.67 58.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.025 -0.534 . . . . 2.96 112.161 -178.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.51 -8.88 33.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 2.22 110.401 -178.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.7 pt -119.9 -29.27 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 1.49 110.737 178.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.81 -1.5 53.47 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.21 -0.519 . . . . 1.4 113.075 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.23 40.77 92.3 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.05 -0.595 . . . . 1.1 112.203 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 pp -91.29 162.94 14.41 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.287 -0.264 . . . . 2.2 110.287 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -75.69 120.76 21.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.45 0.643 . . . . 4.32 110.123 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 p -84.85 165.8 17.41 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.488 -0.778 . . . . 0.66 111.614 -174.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.5 m -86.49 95.14 9.61 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.0 -0.741 . . . . 1.91 109.0 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.26 127.27 28.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.581 -0.736 . . . . 1.41 111.696 -173.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 43' ' ' LEU . 1.2 tm? -102.91 84.79 2.43 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.112 -1.07 . . . . 2.06 108.112 175.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -99.33 94.65 6.57 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.883 -1.053 . . . . 2.89 109.899 -174.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.83 -163.7 36.23 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.48 -0.867 . . . . 0.43 112.286 -178.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 15.1 ttt180 -110.97 113.64 26.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.022 -0.362 . . . . 3.73 110.022 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -151.42 168.39 25.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.006 0.431 . . . . 2.6 111.558 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.98 152.79 44.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.971 -1.013 . . . . 1.86 110.604 175.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.436 HD12 HG22 ' A' ' 26' ' ' THR . 4.3 tt -57.75 -60.49 3.62 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.55 0.214 . . . . 1.74 111.009 -173.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -59.82 -37.5 79.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.946 0.403 . . . . 2.89 110.699 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.6 m -61.32 -47.79 84.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.731 -0.668 . . . . 1.62 110.979 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.4 p -62.1 -39.09 91.33 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.761 0.315 . . . . 1.66 111.071 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.94 -45.81 87.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.216 -0.447 . . . . 1.3 111.307 -178.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.31 -37.07 84.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.656 -0.247 . . . . 3.91 111.427 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.3 mm -70.15 -32.83 52.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.966 0.412 . . . . 1.86 110.413 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -73.12 -48.07 38.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 2.18 110.191 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.9 mt -96.97 22.78 7.94 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.381 -0.372 . . . . 2.71 111.319 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -51.79 94.34 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.641 -0.709 . . . . 2.3 112.358 176.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.42 42.04 57.16 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 121.102 -0.57 . . . . 1.62 113.355 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.1 p -88.75 2.47 53.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.056 0.391 . . . . 1.76 112.056 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.72 10.72 58.85 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 121.09 -0.576 . . . . 1.5 113.036 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 75' ' ' ALA . 78.6 mt -110.37 165.46 11.76 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.783 -0.451 . . . . 1.77 109.783 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.412 ' HG2' ' OG ' ' A' ' 76' ' ' SER . 15.7 mmm180 -111.36 124.23 51.82 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.677 0.275 . . . . 4.83 110.47 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.472 ' HA ' ' O ' ' A' ' 72' ' ' THR . 44.2 p90 -102.4 148.11 25.89 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.744 -0.465 . . . . 1.93 109.744 173.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . 0.471 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 73.5 mt-30 -131.08 105.67 7.86 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.322 -0.621 . . . . 3.17 109.322 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.5 tt -111.55 113.82 45.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.372 0.606 . . . . 1.84 111.058 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -156.95 133.85 10.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.607 -0.724 . . . . 2.29 109.92 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.13 -122.17 23.08 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.087 -0.805 . . . . 1.45 111.087 -176.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -109.93 17.25 21.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.942 0.401 . . . . 2.97 109.978 175.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m -111.01 124.19 51.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.882 -0.599 . . . . 1.38 111.403 -176.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.517 ' HB ' HD22 ' A' ' 28' ' ' LEU . 40.6 t -126.32 108.58 19.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.952 -0.758 . . . . 1.33 108.952 172.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.472 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 55.3 m -107.51 129.88 54.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.48 -0.327 . . . . 1.36 111.069 -175.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.3 t -113.56 105.35 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.137 -0.483 . . . . 1.42 109.96 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.5 t -125.75 149.81 48.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.009 -0.542 . . . . 2.29 110.437 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.437 ' HA ' HD22 ' A' ' 62' ' ' LEU . . . -70.66 131.37 43.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.935 0.398 . . . . 2.1 110.579 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.412 ' OG ' ' HG2' ' A' ' 63' ' ' ARG . 4.4 m -61.42 -40.88 96.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.421 -0.809 . . . . 3.1 110.933 -179.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.32 91.98 0.25 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.952 -0.567 . . . . 4.81 110.179 177.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.6 31.29 1.81 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.084 0.469 . . . . 6.13 110.716 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.69 -179.49 6.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.91 -0.586 . . . . 7.46 110.444 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.905 ' HE3' ' HA ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER 72.83 -67.58 0.26 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.832 0.708 . . . . 11.03 110.712 -179.796 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.04 30.31 3.47 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.408 -0.36 . . . . 11.5 111.101 178.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.849 0 CA-C-O 119.28 -0.733 . . . . 12.03 111.315 179.766 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 110.199 -0.296 . . . . 4.16 110.199 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -69.9 130.69 42.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.388 -0.369 . . . . 3.98 110.405 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -108.86 153.41 23.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.685 -0.689 . . . . 1.99 110.149 -177.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 23.3 m-90 -127.73 150.62 49.71 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.06 -0.518 . . . . 1.52 110.276 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.6 m -96.35 97.9 9.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.81 -0.811 . . . . 1.82 108.81 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.1 mt -97.06 122.31 39.92 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.42 -0.809 . . . . 1.28 110.358 -172.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.84 101.69 14.27 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.268 -0.642 . . . . 2.12 109.268 172.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.566 ' H ' ' HB3' ' A' ' 44' ' ' LYS . 40.5 mm -109.75 125.69 30.7 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.142 -0.481 . . . . 1.57 111.075 -175.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.694 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 19.9 Cg_exo -68.3 165.59 28.24 Favored 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.773 2.982 . . . . 0.46 112.884 178.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.441 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . . . -117.99 22.47 12.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 1.19 111.373 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -102.87 -157.42 0.61 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.021 -0.536 . . . . 1.66 109.776 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 m -52.26 139.45 23.97 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 121.194 0.521 . . . . 1.65 111.299 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 19.0 mmt -46.72 -31.63 3.07 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 114.941 -1.027 . . . . 1.5 112.269 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -49.71 -43.12 47.33 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.354 0.409 . . . . 2.56 110.699 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -78.27 -47.75 17.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.299 -0.41 . . . . 1.41 110.316 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.694 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -64.1 -43.47 95.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 1.13 111.793 -174.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.05 -48.56 67.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.09 -0.504 . . . . 1.52 110.577 -177.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -61.99 -32.75 73.24 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.878 0.371 . . . . 2.67 110.82 177.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.499 ' O ' ' HB2' ' A' ' 23' ' ' GLN . . . -66.88 -43.71 82.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 1.07 110.799 177.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.2 -37.45 80.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.997 0.427 . . . . 1.64 110.284 -178.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.28 -63.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.269 -0.878 . . . . 1.17 110.682 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -64.81 -21.3 66.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.309 -0.405 . . . . 3.81 112.044 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.499 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -65.79 -31.81 72.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.9 0.381 . . . . 1.76 110.628 177.823 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -118.05 10.3 13.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.154 -0.476 . . . . 1.26 110.975 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.9 t70 53.06 41.97 32.19 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.223 -0.898 . . . . 2.11 110.766 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -105.05 -177.72 3.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.788 -0.642 . . . . 1.35 111.219 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -125.03 130.02 51.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.871 -0.604 . . . . 2.97 109.727 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.543 ' CD2' ' HB ' ' A' ' 71' ' ' VAL . 41.3 mt -117.47 127.98 54.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.872 0.368 . . . . 2.15 110.18 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.5 112.8 25.12 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.786 -0.82 . . . . 2.63 108.786 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -153.07 152.17 31.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.233 -0.439 . . . . 1.29 110.23 -176.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.1 m -106.06 113.49 63.54 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.562 -0.533 . . . . 2.08 109.562 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.99 -34.12 75.64 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.463 2.775 . . . . 1.66 113.418 -176.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.55 -26.43 57.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.059 0.457 . . . . 2.96 111.115 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -92.8 -12.48 31.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.061 -0.518 . . . . 2.22 110.848 -172.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.547 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 19.8 pt -95.66 5.92 8.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 1.49 109.705 177.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.43 16.47 43.56 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.324 -0.853 . . . . 1.4 114.095 173.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.69 42.75 78.72 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.911 -0.662 . . . . 1.1 111.986 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 92.6 mt -76.83 149.43 36.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.424 -0.213 . . . . 2.2 110.424 -176.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.639 ' H ' ' HD2' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -84.49 144.47 28.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.994 0.426 . . . . 4.32 109.89 175.84 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 p -85.27 156.1 21.09 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.669 -0.696 . . . . 0.66 110.593 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.8 t -86.65 125.85 34.13 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.232 -1.025 . . . . 1.91 108.232 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.441 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . . . -56.85 96.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.71 0.631 . . . . 1.41 111.255 -176.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.4 tp -117.6 81.81 1.72 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.858 -0.793 . . . . 2.06 108.858 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.566 ' HB3' ' H ' ' A' ' 8' ' ' ILE . 25.0 pttm -119.51 120.12 35.84 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 121.424 0.63 . . . . 2.89 109.831 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.38 -162.31 33.4 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.076 -0.965 . . . . 0.43 111.411 -174.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -97.03 106.1 18.38 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.975 -0.38 . . . . 3.73 109.975 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -141.08 160.78 39.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.372 -0.377 . . . . 2.6 110.507 -175.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -86.83 166.41 15.22 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.544 -0.539 . . . . 1.86 109.544 172.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.4 tp -57.88 -55.2 38.03 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.302 0.376 . . . . 1.74 111.765 -173.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.467 ' HA ' ' OE1' ' A' ' 50' ' ' GLN . 14.0 mm-40 -60.16 -45.91 91.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 2.89 111.569 -175.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.0 t -60.47 -41.97 95.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.442 -0.344 . . . . 1.62 110.549 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 m -62.07 -48.23 81.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.284 -0.417 . . . . 1.66 110.909 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.6 -45.96 87.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.154 0.502 . . . . 1.3 110.665 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.449 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 25.2 ttt180 -61.98 -48.51 80.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.387 -0.824 . . . . 3.91 111.353 -177.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.0 mt -72.34 -35.58 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.969 0.359 . . . . 1.86 111.969 -176.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.0 tt -66.89 -47.17 72.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 2.18 110.802 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.659 ' HG ' ' HB3' ' A' ' 64' ' ' TYR . 3.9 mm? -79.07 -24.19 43.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.59 0.233 . . . . 2.71 111.149 -179.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.449 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 8.7 tt0 -52.42 109.4 0.39 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.224 -0.444 . . . . 2.3 111.243 175.072 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.29 63.41 1.19 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.619 -0.8 . . . . 1.62 112.132 178.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.6 p -144.57 -36.25 0.32 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.012 0.434 . . . . 1.76 110.993 -176.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.25 7.79 51.43 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.218 -0.753 . . . . 1.5 111.218 -172.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.7 mt -117.43 160.68 20.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.726 0.298 . . . . 1.77 110.361 -177.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.415 ' HG3' ' OG ' ' A' ' 76' ' ' SER . 99.8 mtt180 -114.37 126.69 55.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 4.83 109.963 178.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.659 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 40.3 p90 -100.54 145.57 28.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.246 -0.434 . . . . 1.93 110.727 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -133.3 126.95 32.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.766 -0.652 . . . . 3.17 109.757 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.2 tt -103.01 123.43 56.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.442 0.639 . . . . 1.84 111.076 178.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -127.56 91.55 3.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.504 -0.771 . . . . 2.29 110.115 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.45 -99.55 0.4 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.26 -0.495 . . . . 1.45 112.524 -178.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -118.22 9.46 12.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.343 0.592 . . . . 2.97 109.935 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 m -111.91 138.24 48.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.559 -0.746 . . . . 1.38 109.672 177.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.543 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 22.9 t -126.02 135.36 64.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.583 -0.525 . . . . 1.33 109.583 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.0 m -112.13 130.88 55.75 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.654 -0.248 . . . . 1.36 110.54 -177.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.4 t -117.75 110.82 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.445 -0.343 . . . . 1.42 110.243 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.0 t -129.7 151.94 49.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.966 -0.561 . . . . 2.29 110.151 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.4 141.04 48.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 2.1 111.125 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.415 ' OG ' ' HG3' ' A' ' 63' ' ' ARG . 15.5 m -68.49 96.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.032 -0.531 . . . . 3.1 110.581 177.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.83 33.56 2.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.125 -0.488 . . . . 4.81 110.562 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -140.72 85.01 1.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.988 -0.551 . . . . 6.13 110.408 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -114.09 23.27 13.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.122 -0.49 . . . . 7.46 110.896 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -100.75 -74.88 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.867 0.365 . . . . 11.03 110.292 177.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.56 68.49 4.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.526 0.679 . . . . 11.5 109.759 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.096 -1.391 . . . . 12.03 111.057 179.528 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 . . . . . 0 N--CA 1.448 -0.544 0 N-CA-C 108.792 -0.818 . . . . 1.99 108.792 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.535 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 29.7 m-90 -133.37 160.88 36.05 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 110.288 -0.264 . . . . 1.17 110.288 -172.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 t -96.17 99.92 11.61 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.387 -0.968 . . . . 1.13 108.387 173.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.9 mt -86.24 153.38 22.05 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.37 -0.832 . . . . 0.75 111.819 -170.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -130.55 98.27 4.62 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.949 -1.13 . . . . 2.12 107.949 172.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.426 HD11 HD13 ' A' ' 20' ' ' LEU . 47.2 mm -117.72 125.92 27.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.015 -0.538 . . . . 0.91 110.968 -172.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.719 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 26.1 Cg_exo -64.55 153.34 77.79 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.95 2.433 . . . . 0.35 112.453 175.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -109.97 20.89 17.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.852 0.834 . . . . 0.43 109.779 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.411 ' HG2' ' H ' ' A' ' 11' ' ' GLN . 2.6 pt20 -96.71 -150.02 0.33 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.566 -1.197 . . . . 1.61 109.246 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -53.27 131.33 37.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.813 0.816 . . . . 1.3 111.388 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.515 ' HB3' HD12 ' A' ' 35' ' ' ILE . 50.2 tpp -49.91 -34.41 20.28 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 114.294 -1.321 . . . . 1.29 112.57 -176.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -57.2 -33.06 67.11 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.393 -0.367 . . . . 2.26 111.18 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 m -78.1 -44.96 24.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.913 -0.585 . . . . 1.2 110.626 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.719 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -60.54 -46.46 90.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.97 -0.559 . . . . 0.38 111.542 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.64 -43.4 89.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 0.92 110.992 -178.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.54 -37.39 86.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.931 0.396 . . . . 2.19 111.063 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.48 -40.42 93.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.125 -0.489 . . . . 0.31 110.405 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.426 HD13 HD11 ' A' ' 8' ' ' ILE . 60.3 tp -65.87 -34.67 78.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.0 -0.545 . . . . 1.03 110.16 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.55 -57.01 14.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.137 -0.938 . . . . 0.44 110.628 -175.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -63.1 -36.63 84.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.353 -0.84 . . . . 3.41 111.354 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -80.3 -18.52 49.03 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.887 0.699 . . . . 1.52 112.887 -171.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.8 p -120.32 9.34 10.99 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.635 -0.426 . . . . 0.76 111.992 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 60.73 47.32 8.14 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.013 -0.54 . . . . 2.11 111.017 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p -128.54 154.66 45.93 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.003 0.43 . . . . 0.76 111.44 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -103.46 120.18 40.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.901 -0.591 . . . . 2.39 109.53 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.573 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 9.8 mp -112.94 125.78 54.76 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.923 -0.399 . . . . 1.51 109.923 -176.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -106.47 120.76 42.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.917 -0.583 . . . . 2.03 110.211 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -156.53 157.67 35.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.339 -0.846 . . . . 0.96 109.731 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.411 ' OG ' ' HG2' ' A' ' 33' ' ' GLU . 38.1 t -102.72 114.09 65.51 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-O 120.827 0.346 . . . . 1.78 110.313 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.87 -30.14 77.07 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.0 2.466 . . . . 1.37 112.608 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.411 ' HG2' ' OG ' ' A' ' 31' ' ' SER . 13.6 pt-20 -76.89 -32.04 57.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.094 -0.503 . . . . 2.96 111.069 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.411 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 28.8 t70 -84.79 -8.02 58.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.963 -0.562 . . . . 2.22 111.733 -171.298 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.515 HD12 ' HB3' ' A' ' 13' ' ' MET . 24.6 pt -96.89 -1.03 10.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.911 -0.316 . . . . 1.09 111.116 -178.17 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.73 17.19 33.69 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 116.067 -0.515 . . . . 1.4 114.304 173.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.05 40.38 93.13 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.804 -0.712 . . . . 1.05 112.569 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.9 mt -74.22 144.65 44.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.27 -0.27 . . . . 1.72 110.27 178.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 13.5 ptm180 -79.21 135.8 36.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.054 0.454 . . . . 3.77 110.238 176.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 p -83.96 156.47 22.3 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.731 -0.668 . . . . 0.56 111.758 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 t -87.93 95.83 10.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.8 -0.815 . . . . 1.54 108.8 176.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -58.04 115.44 2.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.44 -0.8 . . . . 0.84 111.932 -174.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.4 tp -114.25 83.59 1.9 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.455 -0.572 . . . . 1.42 109.455 174.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -102.09 103.61 14.19 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.515 0.674 . . . . 2.43 109.996 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.52 -162.98 31.86 Favored Glycine 0 N--CA 1.44 -1.045 0 N-CA-C 110.387 -1.085 . . . . 0.37 110.387 -174.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.535 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 34.0 ttm105 -98.74 111.86 24.11 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 117.139 0.47 . . . . 3.27 110.739 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -155.6 161.68 40.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.593 -0.73 . . . . 1.98 110.689 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.56 157.02 27.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.359 -0.837 . . . . 1.86 110.763 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 1.1 tm? -57.25 -58.28 8.91 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.116 0.166 . . . . 1.18 111.124 -173.306 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -59.2 -41.53 88.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.044 0.45 . . . . 2.39 110.983 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.7 m -63.09 -45.57 91.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.698 -0.683 . . . . 1.33 111.003 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.9 m -61.98 -42.74 99.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.341 -0.391 . . . . 1.21 110.823 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 95.9 mt -57.38 -46.11 83.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.128 -0.487 . . . . 0.7 110.219 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -61.48 -45.21 95.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.714 -0.675 . . . . 3.38 111.271 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.2 mt -67.77 -42.5 86.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.855 0.36 . . . . 1.24 111.468 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.11 -41.56 67.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.305 -0.407 . . . . 1.63 110.833 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 62' ' ' LEU . 3.0 tm? -72.13 -44.59 62.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.034 -0.53 . . . . 2.17 110.805 -175.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -46.53 112.64 0.52 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.574 0.546 . . . . 2.3 111.613 -177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.59 -13.66 5.61 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.585 -0.734 . . . . 1.42 111.947 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.2 p -107.03 3.0 25.48 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.091 0.404 . . . . 1.25 112.091 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.12 25.22 53.58 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 114.16 0.424 . . . . 1.35 114.16 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.487 ' HB2' HD11 ' A' ' 57' ' ' LEU . 80.8 mt -100.46 169.33 9.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.403 -0.469 . . . . 1.28 110.434 -178.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 62' ' ' LEU . 10.6 mpt_? -121.75 126.29 48.55 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.96 -0.385 . . . . 4.21 109.96 177.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -100.51 125.46 46.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.108 0.48 . . . . 1.37 110.851 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.436 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 48.1 mt-30 -101.54 110.36 22.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.903 -0.589 . . . . 2.64 109.81 175.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.41 HD12 HD12 ' A' ' 49' ' ' LEU . 7.7 tt -104.78 114.8 45.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.277 0.561 . . . . 1.28 110.451 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -135.62 101.25 4.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.881 -0.599 . . . . 2.29 110.346 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.06 -105.09 0.77 Allowed Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 121.045 -0.597 . . . . 1.3 112.959 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -106.93 7.78 30.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.922 0.391 . . . . 2.35 110.26 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 m -109.2 125.96 52.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.939 0.4 . . . . 0.97 111.038 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.573 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 58.7 t -122.16 111.59 31.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.397 -0.594 . . . . 0.68 109.397 175.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.436 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 19.1 m -110.38 112.52 24.51 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.891 0.377 . . . . 0.8 110.542 -176.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.3 t -93.38 104.64 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.843 -0.429 . . . . 1.01 109.843 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 116.237 -0.438 . . . . 1.87 110.334 -178.436 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.686 ' OE2' ' HA ' ' A' ' 47' ' ' HIS . 48.1 mt-10 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.874 0.369 . . . . 1.99 110.83 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.484 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 22.3 m-90 -134.53 164.59 27.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.92 -0.582 . . . . 1.17 110.084 -175.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.4 m -91.17 98.54 11.8 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.684 -0.858 . . . . 1.13 108.684 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.3 mt -107.79 152.01 24.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.017 -0.538 . . . . 0.75 111.238 -172.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -133.0 106.11 7.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.732 -0.667 . . . . 2.12 109.745 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.445 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 1.8 mp -105.87 120.47 48.97 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.349 -0.387 . . . . 0.91 110.518 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.71 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 32.0 Cg_exo -62.28 149.28 91.25 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.434 2.756 . . . . 0.35 113.095 178.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -96.95 30.2 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.685 0.755 . . . . 0.43 109.591 175.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -98.15 -151.13 0.37 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.56 -1.2 . . . . 1.61 108.887 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -56.92 138.68 53.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.679 -0.489 . . . . 1.3 109.679 173.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.452 ' HB3' HD12 ' A' ' 35' ' ' ILE . 55.7 tpp -51.73 -26.23 9.0 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.779 -0.646 . . . . 1.29 110.727 176.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -55.37 -40.63 71.56 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.285 -0.871 . . . . 2.26 110.907 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.0 m -74.18 -42.22 60.21 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.944 0.402 . . . . 1.2 110.453 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.71 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -59.84 -47.41 85.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.838 -0.619 . . . . 0.38 111.797 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.31 -41.12 85.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.435 -0.348 . . . . 0.92 110.893 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.36 -38.86 92.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 2.19 110.429 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.64 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.31 111.022 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.2 tp -66.28 -34.93 79.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.061 0.458 . . . . 1.03 110.124 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.572 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -61.04 -54.12 48.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.036 -0.984 . . . . 0.44 110.587 -177.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -64.07 -42.47 96.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.673 -0.694 . . . . 3.41 110.947 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -62.69 -34.38 77.01 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.919 0.711 . . . . 1.52 112.919 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.3 p -113.17 3.1 15.88 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.785 -0.366 . . . . 0.76 111.75 -175.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 56.7 49.01 15.21 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.351 -0.84 . . . . 2.11 110.229 -176.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.3 p -113.65 160.64 18.38 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.349 -0.842 . . . . 0.76 110.036 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -102.54 122.65 44.78 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.567 -0.531 . . . . 2.39 109.567 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.572 HD23 ' HB2' ' A' ' 21' ' ' ALA . 2.1 mm? -101.78 122.91 44.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.466 -0.334 . . . . 1.51 110.32 -177.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.84 100.11 9.64 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.914 -0.773 . . . . 2.03 108.914 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.444 ' CD1' ' HB3' ' A' ' 28' ' ' LEU . 37.7 p90 -156.77 160.61 39.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.914 -0.584 . . . . 0.96 110.156 -175.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.438 ' O ' HG12 ' A' ' 35' ' ' ILE . 77.7 p -136.46 142.41 39.3 Favored Pre-proline 0 C--N 1.316 -0.856 0 N-CA-C 109.365 -0.606 . . . . 1.78 109.365 175.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.94 -20.2 43.53 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.747 2.298 . . . . 1.37 111.103 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -66.65 -49.19 67.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.458 -0.792 . . . . 2.96 110.691 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -73.78 -33.23 64.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.93 -0.577 . . . . 2.22 110.925 -173.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.52 HG13 ' H ' ' A' ' 37' ' ' GLY . 31.1 pt -94.74 -3.38 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.441 -0.345 . . . . 1.09 111.608 -175.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.41 8.92 40.67 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 121.448 -0.406 . . . . 1.4 113.687 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.52 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 63.23 43.35 98.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.199 -0.524 . . . . 1.05 112.73 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 pp -87.69 159.54 18.47 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.035 -0.357 . . . . 1.72 110.035 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -82.48 141.99 32.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.184 0.516 . . . . 3.77 111.249 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 p -90.67 158.04 17.13 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.386 -0.825 . . . . 0.56 110.627 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.4 m -89.56 125.29 35.16 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.559 -0.534 . . . . 1.54 109.559 173.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.548 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -57.5 106.09 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 O-C-N 123.752 0.658 . . . . 0.84 111.489 -175.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -112.95 84.26 1.96 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.443 -0.947 . . . . 1.42 108.443 178.107 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -121.27 124.94 45.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.315 0.578 . . . . 2.43 110.487 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.59 -161.77 33.33 Favored Glycine 0 N--CA 1.441 -0.975 0 N-CA-C 110.677 -0.969 . . . . 0.37 110.677 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 58.7 mtm180 -97.11 95.73 7.97 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.84 -0.43 . . . . 3.27 109.84 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.686 ' HA ' ' OE2' ' A' ' 3' ' ' GLU . 6.9 m-70 -145.51 159.32 43.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.509 . . . . 1.98 111.017 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -85.79 175.85 8.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.674 -0.694 . . . . 1.86 110.807 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.74 -54.82 42.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 1.18 111.625 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -61.01 -45.1 96.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.445 -0.343 . . . . 2.39 111.733 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.8 m -60.26 -43.93 95.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.756 0.312 . . . . 1.33 110.837 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.6 m -60.92 -47.72 85.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.418 -0.355 . . . . 1.21 110.639 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.11 -42.82 99.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.25 -0.432 . . . . 0.7 111.224 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -48.85 77.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.923 -0.581 . . . . 3.38 110.566 -176.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.0 mt -72.96 -33.57 43.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.541 -0.299 . . . . 1.24 110.972 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.1 tp -67.08 -41.01 87.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.63 0.253 . . . . 1.63 111.044 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.409 HD12 ' CD1' ' A' ' 64' ' ' TYR . 79.1 mt -101.8 14.32 32.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 2.17 111.104 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -53.83 92.5 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.446 -0.797 . . . . 2.3 111.632 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.13 30.9 77.76 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.276 -0.488 . . . . 1.42 113.162 176.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.9 p -89.97 0.87 56.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.056 0.455 . . . . 1.25 111.608 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.4 -5.44 84.49 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.947 -0.644 . . . . 1.35 112.125 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.6 mt -97.09 149.73 21.63 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.456 -0.572 . . . . 1.28 109.456 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -122.68 157.2 32.77 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.406 -0.961 . . . . 4.21 108.406 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.504 ' HA ' ' O ' ' A' ' 72' ' ' THR . 51.5 p90 -141.41 127.97 20.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.466 0.651 . . . . 1.37 111.84 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -107.53 123.09 47.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.339 -0.846 . . . . 2.64 108.891 168.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.6 tt -102.87 98.53 6.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.893 0.854 . . . . 1.28 110.502 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -100.63 115.14 29.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.513 -0.767 . . . . 2.29 109.919 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.99 -111.59 4.32 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.885 -0.598 . . . . 1.3 112.076 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -112.0 12.67 20.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.188 0.518 . . . . 2.35 109.88 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.3 m -113.31 131.64 55.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.757 -0.656 . . . . 0.97 110.915 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.485 ' HB ' HD13 ' A' ' 28' ' ' LEU . 43.8 t -111.04 117.8 55.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.604 -0.726 . . . . 0.68 109.221 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 7.5 m -103.05 106.7 17.27 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.842 0.353 . . . . 0.8 110.572 -174.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.3 t -91.15 113.04 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.95 -0.568 . . . . 1.01 109.638 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.8 m . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 115.851 -0.613 . . . . 1.87 111.269 -175.38 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.212 0 CA-C-O 121.1 0.476 . . . . 1.99 111.14 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 28.6 m-90 -133.22 157.56 45.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.619 -0.718 . . . . 1.17 109.309 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 5' ' ' THR . 8.0 t -94.42 103.91 15.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.954 0.883 . . . . 1.13 108.908 174.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -96.06 155.78 16.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.226 -0.897 . . . . 0.75 112.056 -169.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -140.25 107.73 5.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.103 -0.953 . . . . 2.12 108.87 172.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.75 HD11 HD13 ' A' ' 20' ' ' LEU . 79.2 mt -121.01 124.63 27.34 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 115.723 -0.671 . . . . 0.91 110.358 -174.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.886 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 50.1 Cg_exo -56.72 162.8 8.01 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.564 2.842 . . . . 0.35 113.559 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -117.9 25.82 10.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.951 0.881 . . . . 0.43 109.286 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 10.8 pt20 -104.61 -149.11 0.41 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 113.839 -1.528 . . . . 1.61 109.391 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.7 p -55.76 128.67 35.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.679 0.752 . . . . 1.3 110.865 175.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.457 ' HB3' HD12 ' A' ' 35' ' ' ILE . 48.9 ttm -52.15 -29.94 24.36 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 114.558 -1.201 . . . . 1.29 112.995 -174.32 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -58.18 -37.96 75.76 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.5 0.185 . . . . 2.26 111.5 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.6 m -75.55 -39.12 58.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.433 0.635 . . . . 1.2 109.777 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.886 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.86 -43.81 98.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.231 -0.895 . . . . 0.38 111.765 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.514 ' O ' HD12 ' A' ' 28' ' ' LEU . 96.5 mt -65.14 -39.03 92.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.168 -0.469 . . . . 0.92 110.856 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.56 -37.72 88.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.037 0.446 . . . . 2.19 110.453 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.58 81.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.121 -0.49 . . . . 0.31 110.928 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.75 HD13 HD11 ' A' ' 8' ' ' ILE . 63.8 tp -65.46 -36.49 84.06 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.135 0.493 . . . . 1.03 109.875 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.99 -55.05 29.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.221 -0.9 . . . . 0.44 110.376 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -64.76 -34.19 77.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.635 -0.711 . . . . 3.41 111.385 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -65.91 -26.74 67.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.434 -0.348 . . . . 1.52 111.769 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.1 p -115.32 1.64 13.8 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.756 0.28 . . . . 0.76 111.756 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 58.98 39.34 23.68 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.736 -0.666 . . . . 2.11 110.745 -177.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.7 p -112.06 166.31 11.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.953 -0.567 . . . . 0.76 110.896 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -103.77 119.5 39.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.215 -0.448 . . . . 2.39 110.132 176.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.524 HD23 ' HB ' ' A' ' 71' ' ' VAL . 73.7 mt -112.18 115.19 28.42 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.023 -0.732 . . . . 1.51 109.023 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.7 mt -102.48 121.85 43.16 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.922 -0.581 . . . . 2.03 110.284 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -157.68 155.4 29.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.004 0.43 . . . . 0.96 110.91 -175.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.435 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 35.0 t -104.05 122.54 43.95 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 1.78 109.672 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -59.95 -36.75 89.1 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.548 2.832 . . . . 1.37 113.568 -173.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -75.11 -27.44 59.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.228 0.537 . . . . 2.96 110.773 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.435 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 7.0 m-20 -87.58 -1.02 57.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.91 -0.586 . . . . 2.22 111.749 -170.506 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 13' ' ' MET . 30.4 pt -101.62 8.2 9.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.106 0.479 . . . . 1.09 110.043 174.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.76 6.09 34.74 Favored Glycine 0 C--N 1.336 0.566 0 CA-C-N 115.328 -0.851 . . . . 1.4 114.387 171.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.18 38.22 96.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.586 -0.816 . . . . 1.05 111.533 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.3 mt -83.56 157.93 22.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.665 -0.267 . . . . 1.72 110.296 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 33.6 ptt180 -79.41 143.89 34.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.169 0.509 . . . . 3.77 109.902 173.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.7 p -87.94 156.21 19.46 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.568 -0.742 . . . . 0.56 111.308 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.5 m -88.98 100.57 13.31 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.89 -0.781 . . . . 1.54 108.89 173.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -56.92 112.4 1.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.344 -0.844 . . . . 0.84 111.622 -174.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.0 tp -115.06 91.61 3.67 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.289 0.566 . . . . 1.42 109.628 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -114.62 110.76 20.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.777 -0.647 . . . . 2.43 110.382 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.24 -162.07 33.21 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.043 -0.98 . . . . 0.37 111.247 -174.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -98.13 95.66 7.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.92 0.39 . . . . 3.27 109.992 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -140.05 159.92 41.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.207 -0.451 . . . . 1.98 110.778 -178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -90.5 169.24 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.718 -0.674 . . . . 1.86 109.633 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 46.6 tp -59.27 -57.76 11.6 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.302 0.376 . . . . 1.18 111.898 -172.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -60.72 -44.26 96.84 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 111.976 0.362 . . . . 2.39 111.976 -174.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.6 m -62.12 -40.59 96.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 1.33 110.87 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -62.56 -40.45 96.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.419 . . . . 1.21 110.741 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 92.2 mt -61.66 -40.41 94.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.892 -0.595 . . . . 0.7 110.306 177.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -61.78 -54.82 37.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.022 -0.535 . . . . 3.38 111.23 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.6 mt -61.89 -36.41 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 1.24 111.539 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 56' ' ' LEU . 5.3 tt -75.09 -37.11 61.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.455 -0.338 . . . . 1.63 110.53 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.6 mt -106.94 25.36 11.43 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.962 0.356 . . . . 2.17 111.962 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -48.82 -66.7 0.36 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.051 0.453 . . . . 2.3 112.125 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.1 41.16 1.62 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.735 -0.745 . . . . 1.42 112.356 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.7 p -90.6 -13.44 34.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.528 0.204 . . . . 1.25 111.312 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.37 6.18 78.28 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.777 -0.725 . . . . 1.35 112.456 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.2 mt -111.96 156.28 22.37 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.068 -0.345 . . . . 1.28 110.068 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -123.19 173.27 8.01 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.977 -0.379 . . . . 4.21 109.977 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -141.2 131.06 24.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.172 0.511 . . . . 1.37 111.44 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -100.36 112.32 24.65 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.833 -0.803 . . . . 2.64 108.833 171.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.3 tt -102.95 121.18 53.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.115 0.483 . . . . 1.28 111.002 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -129.64 95.38 3.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.709 -0.678 . . . . 2.29 109.792 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.88 -100.08 0.47 Allowed Glycine 0 CA--C 1.518 0.28 0 CA-C-N 115.761 -0.654 . . . . 1.3 112.865 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -118.16 9.56 12.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.409 0.624 . . . . 2.35 110.154 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.1 m -117.17 129.64 56.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.803 -0.635 . . . . 0.97 109.945 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.524 ' HB ' HD23 ' A' ' 28' ' ' LEU . 42.9 t -127.08 132.76 69.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.802 0.334 . . . . 0.68 110.245 -176.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.6 m -113.42 116.51 29.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.39 -0.368 . . . . 0.8 110.541 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.8 t -81.2 116.6 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.032 0.444 . . . . 1.01 109.913 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.3 m . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.967 -0.56 . . . . 1.87 110.317 -176.535 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 109.644 -0.502 . . . . 1.99 109.644 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.449 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 27.5 m-90 -126.67 148.21 49.86 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.912 -0.585 . . . . 1.17 109.918 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.9 m -96.74 98.12 9.89 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.052 -1.092 . . . . 1.13 108.052 172.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.16 157.08 18.41 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.409 -0.814 . . . . 0.75 111.759 -170.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -136.62 98.15 3.73 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.331 -0.989 . . . . 2.12 108.331 174.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.417 HG23 ' HB1' ' A' ' 16' ' ' ALA . 47.6 mm -106.99 122.17 42.47 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.812 -0.631 . . . . 0.91 111.147 -171.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.599 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 48.0 Cg_exo -57.41 159.54 15.94 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.338 2.692 . . . . 0.35 112.803 176.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -118.12 26.27 9.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.641 0.734 . . . . 0.43 110.365 -178.335 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -109.51 -144.62 0.39 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.167 -0.924 . . . . 1.61 109.502 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m -52.72 127.05 21.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.174 0.511 . . . . 1.3 110.968 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 52.1 tpp -49.65 -33.75 16.45 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 114.862 -1.063 . . . . 1.29 111.952 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -56.98 -33.48 67.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 2.26 111.948 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 m -79.35 -46.08 18.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.186 0.517 . . . . 1.2 110.007 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.599 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -63.91 -43.32 96.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.496 -0.774 . . . . 0.38 111.793 -176.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.8 mt -65.95 -42.98 89.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.615 -0.266 . . . . 0.92 110.909 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 22' ' ' LYS . 61.7 tt0 -62.9 -36.87 84.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.816 0.341 . . . . 2.19 110.32 178.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -64.57 -42.56 95.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.31 110.572 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.2 tp -65.68 -35.01 79.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.108 -0.496 . . . . 1.03 110.216 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.09 -45.43 93.56 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.234 -0.894 . . . . 0.44 110.277 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 73.1 mmtt -63.17 -48.63 77.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.659 -0.7 . . . . 3.41 110.713 178.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 86.7 mt-30 -60.02 -32.34 70.8 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.622 -0.717 . . . . 1.52 112.227 -173.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.546 HG21 HD13 ' A' ' 49' ' ' LEU . 25.6 p -110.86 -3.29 15.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.063 0.459 . . . . 0.76 111.471 -176.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t70 57.8 41.32 25.15 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.198 -0.91 . . . . 2.11 110.499 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 p -106.76 175.16 5.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.691 -0.686 . . . . 0.76 111.203 -177.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -109.01 112.49 24.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.94 -0.573 . . . . 2.39 110.25 175.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.8 mt -108.91 113.67 26.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.079 -0.51 . . . . 1.51 109.746 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 29' ' ' LEU . 3.8 mm? -105.78 118.94 37.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.1 -0.5 . . . . 2.03 109.953 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -147.95 153.74 39.43 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.705 -0.68 . . . . 0.96 109.462 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.631 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 26.6 t -98.19 104.81 24.8 Favored Pre-proline 0 C--N 1.317 -0.833 0 N-CA-C 109.756 -0.461 . . . . 1.78 109.756 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.32 -30.39 87.5 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.937 2.425 . . . . 1.37 112.054 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.62 -37.32 73.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.83 -0.623 . . . . 2.96 110.414 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.631 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 4.0 m-20 -86.06 -1.43 57.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.641 0.608 . . . . 2.22 112.641 -172.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.595 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 40.5 pt -99.53 -4.92 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.631 -0.427 . . . . 1.09 111.001 178.568 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.96 15.69 56.19 Favored Glycine 0 CA--C 1.523 0.552 0 CA-C-N 116.236 -0.438 . . . . 1.4 114.13 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.446 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 66.62 51.72 39.68 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.795 -0.717 . . . . 1.05 112.683 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.5 mt -81.77 165.44 20.91 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.403 -0.221 . . . . 1.72 110.403 177.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -98.45 148.65 23.5 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.701 -0.481 . . . . 3.77 109.701 174.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.3 p -89.35 151.61 21.97 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.813 -0.63 . . . . 0.56 111.722 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.7 t -87.89 119.99 28.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.337 -0.847 . . . . 1.54 108.879 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -59.49 100.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.941 -0.572 . . . . 0.84 111.468 -177.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.9 tp -117.4 84.43 2.15 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.346 -0.612 . . . . 1.42 109.346 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.413 ' HB3' ' H ' ' A' ' 8' ' ' ILE . 50.7 pttt -117.31 119.66 35.81 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.36 0.6 . . . . 2.43 110.68 -177.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.53 -163.63 35.01 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.506 -0.77 . . . . 0.37 111.281 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.449 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 22.3 ttt180 -103.25 109.02 20.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.898 0.349 . . . . 3.27 110.416 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -153.82 173.5 15.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.399 -0.364 . . . . 1.98 111.045 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -79.54 153.5 29.48 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.686 -0.688 . . . . 1.86 110.054 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.546 HD13 HG21 ' A' ' 24' ' ' THR . 61.1 tp -57.48 -50.53 72.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.585 0.231 . . . . 1.18 111.509 -175.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 tm0? -60.88 -44.82 96.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 2.39 110.654 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.69 -39.36 88.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.436 -0.347 . . . . 1.33 111.572 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.3 t -60.33 -49.6 76.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.3 -0.409 . . . . 1.21 110.103 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.38 -40.05 85.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.101 -0.5 . . . . 0.7 110.454 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -57.56 -46.73 83.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.518 -0.764 . . . . 3.38 110.934 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.0 mt -76.58 -41.11 34.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.031 -0.531 . . . . 1.24 111.448 -175.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.8 -43.59 71.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 1.63 111.231 -175.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.546 ' HG ' ' HB3' ' A' ' 64' ' ' TYR . 4.6 mm? -73.17 -47.02 47.29 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.506 0.558 . . . . 2.17 112.506 -174.049 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -50.07 117.92 2.62 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.471 0.653 . . . . 2.3 111.567 -177.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.03 -14.94 11.11 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.623 -0.717 . . . . 1.42 112.247 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 47.9 p -89.88 -8.78 51.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.702 0.287 . . . . 1.25 111.646 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.1 2.95 89.43 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.554 -0.831 . . . . 1.35 112.678 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.7 mt -102.39 164.66 11.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.779 0.323 . . . . 1.28 110.479 -177.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -116.73 132.07 56.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.11 -0.496 . . . . 4.21 109.987 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.546 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 31.1 p90 -100.41 118.21 36.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.243 0.544 . . . . 1.37 110.801 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -108.66 134.23 51.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.613 -0.721 . . . . 2.64 109.817 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.0 tt -113.82 130.97 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.267 0.556 . . . . 1.28 111.053 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -132.32 98.47 4.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.548 -0.751 . . . . 2.29 109.934 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.31 -98.44 0.32 Allowed Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.976 -0.631 . . . . 1.3 112.177 -175.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -124.89 22.44 8.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.835 0.826 . . . . 2.35 109.229 175.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.8 m -111.58 130.91 55.59 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.744 -1.116 . . . . 0.97 109.496 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.4 t -119.21 125.7 74.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.897 -0.409 . . . . 0.68 109.897 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 m -113.67 116.71 29.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.941 0.4 . . . . 0.8 110.557 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.9 t -97.94 103.53 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.984 -0.553 . . . . 1.01 110.112 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 116.027 -0.533 . . . . 1.87 110.438 -176.523 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.492 ' HB3' ' HG2' ' A' ' 46' ' ' ARG . 11.9 mt-10 . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 109.41 -0.589 . . . . 1.99 109.41 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.541 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 20.9 m-90 -134.32 159.28 41.49 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.793 -0.447 . . . . 1.17 109.793 -178.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.1 m -91.12 98.24 11.63 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.598 -0.89 . . . . 1.13 108.598 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.2 mt -97.56 151.81 19.67 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.39 -0.823 . . . . 0.75 110.704 -173.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -138.52 98.3 3.55 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.055 -0.721 . . . . 2.12 109.055 175.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.468 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 1.8 mp -102.75 124.76 37.8 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.557 -0.747 . . . . 0.91 110.776 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.756 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 49.4 Cg_exo -59.18 162.12 14.78 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.673 2.915 . . . . 0.35 113.448 179.306 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -110.83 25.5 11.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.464 -0.789 . . . . 0.43 109.741 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -106.53 -158.85 0.67 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.474 -1.239 . . . . 1.61 108.971 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.8 m -50.2 132.02 23.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.012 0.434 . . . . 1.3 110.854 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.2 ttm -51.34 -25.22 5.61 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.273 -0.876 . . . . 1.29 111.191 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.588 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 39.1 t-20 -53.38 -44.99 69.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.518 -0.764 . . . . 2.26 110.459 176.221 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 m -77.45 -34.71 54.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.917 0.389 . . . . 1.2 110.453 -178.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.756 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.46 -41.52 97.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.38 111.046 177.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.3 mt -65.15 -40.76 94.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.21 -0.45 . . . . 0.92 110.457 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 14' ' ' ASN . 77.5 mt-30 -60.34 -40.17 89.71 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.88 0.371 . . . . 2.19 110.276 176.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.695 ' O ' ' HB2' ' A' ' 23' ' ' GLN . . . -66.61 -41.12 88.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.897 -0.592 . . . . 0.31 111.031 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.425 HD21 HD11 ' A' ' 8' ' ' ILE . 20.1 mt -67.02 -35.38 79.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.763 0.315 . . . . 1.03 110.968 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB2' HD11 ' A' ' 28' ' ' LEU . . . -60.11 -63.06 1.43 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.671 -0.695 . . . . 0.44 110.599 -177.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.41 -25.96 68.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 3.41 111.064 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.695 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 9.7 tp60 -61.65 -41.8 98.02 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.183 -0.462 . . . . 1.52 110.868 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.7 p -121.74 19.44 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.76 111.471 -175.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 41.49 42.03 1.79 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.004 0.922 . . . . 2.11 112.304 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.7 p -98.34 170.58 8.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 0.76 111.333 -176.032 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -106.62 135.75 47.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.071 -0.513 . . . . 2.39 110.093 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 21' ' ' ALA . 72.3 mt -103.61 131.72 50.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.944 0.402 . . . . 1.51 110.988 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.9 tp -122.3 101.79 7.72 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.62 -0.718 . . . . 2.03 109.745 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -168.0 162.53 13.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.141 -0.482 . . . . 0.96 110.339 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 14.1 m -102.47 111.39 64.57 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.244 -0.65 . . . . 1.78 109.244 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.532 ' O ' HG12 ' A' ' 35' ' ' ILE . 51.2 Cg_exo -54.18 -38.91 88.01 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.736 2.957 . . . . 1.37 114.047 -171.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.85 -16.99 59.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.78 0.324 . . . . 2.96 111.436 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.422 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 4.9 m-20 -89.91 -0.26 57.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.257 0.465 . . . . 2.22 112.257 -173.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 32' ' ' PRO . 36.6 pt -98.83 0.26 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.755 -0.378 . . . . 1.09 110.651 178.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.44 19.89 49.16 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.821 -0.627 . . . . 1.4 114.049 173.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 55.73 37.72 69.94 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.168 -0.539 . . . . 1.05 112.69 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 91.5 mt -68.35 126.7 30.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.578 -0.527 . . . . 1.72 109.578 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -80.47 137.88 36.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.473 0.654 . . . . 3.77 111.148 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.4 p -92.5 163.37 13.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.126 -0.943 . . . . 0.56 110.678 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 m -87.12 140.47 29.52 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.735 -0.839 . . . . 1.54 108.735 173.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.535 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -57.57 101.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.527 0.517 . . . . 0.84 110.799 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.417 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 20.3 tp -110.13 98.88 8.05 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.52 -0.548 . . . . 1.42 109.52 -178.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.502 ' HE3' ' HB2' ' A' ' 44' ' ' LYS . 15.1 ptmt -136.86 122.89 20.27 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.349 0.595 . . . . 2.43 111.132 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.53 -163.69 33.64 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.239 -0.891 . . . . 0.37 111.059 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.541 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 31.4 ttp180 -95.92 95.88 8.54 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.416 -0.587 . . . . 3.27 109.416 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -138.76 163.06 33.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.944 0.402 . . . . 1.98 111.467 -174.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -78.95 154.98 29.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.238 -0.892 . . . . 1.86 109.287 173.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.513 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 61.2 tp -56.85 -47.7 79.79 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.067 0.46 . . . . 1.18 110.639 -177.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -62.71 -34.85 77.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.794 -0.639 . . . . 2.39 110.651 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.402 ' O ' HG13 ' A' ' 55' ' ' ILE . 46.5 t -61.64 -46.43 89.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.793 -0.639 . . . . 1.33 109.829 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.7 t -60.85 -44.65 96.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 1.21 110.648 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.61 -43.01 98.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.7 111.103 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -66.73 -43.71 83.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.515 . . . . 3.38 111.464 -176.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 51' ' ' SER . 79.8 mt -63.76 -44.46 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.829 0.347 . . . . 1.24 110.71 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.461 HD11 HG21 ' A' ' 8' ' ' ILE . 82.8 mt -70.58 -51.76 26.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 1.63 111.869 -177.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.438 HD22 ' HB3' ' A' ' 64' ' ' TYR . 7.6 mp -95.12 23.22 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.586 0.232 . . . . 2.17 111.536 -175.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -50.45 -55.91 13.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 2.3 111.411 177.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.59 41.53 1.23 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.656 -0.783 . . . . 1.42 112.498 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.3 p -87.32 -6.53 58.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.783 0.325 . . . . 1.25 111.772 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.79 -8.62 61.65 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.708 -0.758 . . . . 1.35 112.498 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.9 mt -109.84 160.05 16.69 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.552 -0.536 . . . . 1.28 109.552 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -116.64 136.33 53.06 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.976 0.417 . . . . 4.21 110.855 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.438 ' HB3' HD22 ' A' ' 57' ' ' LEU . 22.4 p90 -99.19 145.47 27.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.598 -0.728 . . . . 1.37 109.966 178.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.541 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 35.5 tt0 -139.83 134.75 32.18 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.495 -0.557 . . . . 2.64 109.495 176.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.9 tt -120.04 135.43 60.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.977 0.418 . . . . 1.28 110.547 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -150.43 117.47 5.94 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.081 -0.711 . . . . 2.29 109.081 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.31 -107.08 1.74 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.629 -0.796 . . . . 1.3 111.365 -174.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -127.15 23.5 6.48 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.218 0.532 . . . . 2.35 109.695 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.7 m -107.86 132.72 53.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.704 -0.68 . . . . 0.97 110.648 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.5 t -112.48 117.63 55.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.526 -0.761 . . . . 0.68 109.556 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.541 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 26.3 m -107.94 131.47 54.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.815 0.34 . . . . 0.8 110.698 -176.034 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.1 t -114.97 106.44 20.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.175 -0.466 . . . . 1.01 109.905 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 116.16 -0.473 . . . . 1.87 110.369 -178.734 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.93 -0.396 . . . . 1.99 109.93 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 20.2 m-90 -126.09 155.58 41.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.2 -0.454 . . . . 1.17 110.78 -173.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.4 m -90.19 98.13 11.59 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.446 -0.946 . . . . 1.13 108.446 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.664 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 75.6 mt -109.24 111.08 22.47 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.317 -0.856 . . . . 0.75 110.84 -171.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -96.82 97.84 9.63 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.368 -0.975 . . . . 2.12 108.368 172.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.8 mm -98.5 123.98 48.19 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.939 -0.573 . . . . 0.91 110.926 -172.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 52.5 Cg_exo -56.06 156.44 20.18 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.248 2.632 . . . . 0.35 113.137 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.834 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -113.9 30.79 6.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.96 0.886 . . . . 0.43 109.436 -178.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.598 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 9.3 pt20 -114.6 -157.42 0.63 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.432 -1.258 . . . . 1.61 109.448 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.5 t -48.26 127.29 12.53 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.181 0.515 . . . . 1.3 110.47 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.608 ' HG2' ' HB3' ' A' ' 40' ' ' SER . 51.1 mtt -50.19 -25.48 3.65 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.129 -0.941 . . . . 1.29 112.252 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -56.16 -37.44 69.53 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.106 0.254 . . . . 2.26 110.731 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.0 m -81.91 -46.1 14.53 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.916 0.388 . . . . 1.2 110.493 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.539 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -63.64 -46.49 85.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.665 -0.698 . . . . 0.38 112.101 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.0 mt -68.44 -37.25 80.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.558 -0.292 . . . . 0.92 110.639 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -61.76 -42.41 98.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.144 0.497 . . . . 2.19 110.182 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.1 88.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.779 -0.646 . . . . 0.31 110.94 178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.8 tp -65.13 -40.87 95.06 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.138 -0.483 . . . . 1.03 110.035 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.36 74.33 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.101 -0.954 . . . . 0.44 110.234 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.82 -49.06 77.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.618 -0.719 . . . . 3.41 111.732 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -67.45 -19.27 65.34 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.518 0.562 . . . . 1.52 112.518 -172.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.9 p -115.01 2.62 14.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.187 0.518 . . . . 0.76 111.003 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 t70 48.46 52.07 14.25 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.694 -1.139 . . . . 2.11 110.769 -174.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.9 p -111.71 159.46 18.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.659 -0.701 . . . . 0.76 111.163 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -103.35 109.47 21.1 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.542 -0.753 . . . . 2.39 109.106 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.407 HD23 ' HB ' ' A' ' 71' ' ' VAL . 78.6 mt -102.77 121.14 41.85 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.936 0.398 . . . . 1.51 110.392 -177.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' HB3' ' HA ' ' A' ' 72' ' ' THR . 1.8 tm? -103.26 107.67 18.58 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.391 -0.966 . . . . 2.03 108.391 178.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -142.67 154.22 44.13 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.127 -0.488 . . . . 0.96 110.083 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 t -100.19 111.62 62.65 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.304 -0.407 . . . . 1.78 110.609 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.01 -28.2 87.21 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.946 2.431 . . . . 1.37 111.712 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -75.73 -27.18 58.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.879 -0.6 . . . . 2.96 111.291 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -88.5 -19.93 25.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.598 0.237 . . . . 2.22 111.571 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.468 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 23.0 pt -92.26 -18.87 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.838 -0.43 . . . . 1.09 109.838 174.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.24 2.75 20.96 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.936 -0.574 . . . . 1.4 113.368 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.82 39.91 38.02 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.912 -0.661 . . . . 1.05 112.346 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 3.9 pp -92.41 172.69 8.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.604 -0.517 . . . . 1.72 109.604 178.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.598 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 8.8 ptp180 -82.44 137.65 34.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.345 0.593 . . . . 3.77 111.949 -174.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.608 ' HB3' ' HG2' ' A' ' 13' ' ' MET . 11.1 p -88.06 166.68 14.27 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.009 -0.996 . . . . 0.56 110.645 175.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 m -85.95 115.41 23.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.768 -0.651 . . . . 1.54 109.82 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.834 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -61.21 105.88 0.55 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.869 -0.605 . . . . 0.84 111.316 -177.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.9 tp -110.91 82.94 1.67 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.205 -0.665 . . . . 1.42 109.205 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.664 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 23.5 pttm -103.53 110.41 22.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.842 -0.617 . . . . 2.43 111.134 -174.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.52 -162.28 34.03 Favored Glycine 0 N--CA 1.453 -0.228 0 CA-C-N 115.638 -0.71 . . . . 0.37 111.829 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -93.35 108.15 19.86 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.062 -0.718 . . . . 3.27 109.062 176.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -138.65 151.26 47.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.879 0.371 . . . . 1.98 110.933 -174.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -84.75 161.93 19.82 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.797 -0.816 . . . . 1.86 108.797 171.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 58.7 tp -56.71 -52.05 66.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.947 0.403 . . . . 1.18 110.401 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -58.23 -43.52 87.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.661 -0.699 . . . . 2.39 110.908 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.2 m -62.26 -46.45 88.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.98 -0.555 . . . . 1.33 110.818 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.9 m -60.13 -45.09 94.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 1.21 110.875 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 92.9 mt -60.88 -49.47 77.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.54 . . . . 0.7 111.425 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.47 -42.14 95.59 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.429 0.529 . . . . 3.38 112.429 -174.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.8 -41.21 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.946 -0.302 . . . . 1.24 110.954 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 tt -71.09 -35.91 72.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.355 0.598 . . . . 1.63 109.913 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.766 HD22 ' HD2' ' A' ' 64' ' ' TYR . 12.6 tp -72.68 -15.71 61.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.529 -0.76 . . . . 2.17 111.266 -177.331 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -56.3 -34.33 66.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.861 -0.608 . . . . 2.3 111.694 -176.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -116.44 11.89 16.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.248 -0.977 . . . . 1.42 113.346 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' A' ' 57' ' ' LEU . 20.4 p -102.95 -7.85 21.14 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.567 0.58 . . . . 1.25 112.567 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.89 19.05 35.31 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 121.265 -0.493 . . . . 1.35 114.177 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.8 mt -105.98 179.87 4.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.946 0.373 . . . . 1.28 110.392 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.514 ' HA ' HD21 ' A' ' 57' ' ' LEU . 26.5 mmt180 -129.37 163.15 26.4 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.796 -0.446 . . . . 4.21 109.796 178.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.766 ' HD2' HD22 ' A' ' 57' ' ' LEU . 45.7 p90 -124.93 130.68 52.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.206 0.527 . . . . 1.37 111.321 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -107.61 112.72 25.59 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.144 -0.688 . . . . 2.64 109.144 171.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.8 tt -115.58 129.77 71.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.263 0.554 . . . . 1.28 111.452 -173.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -144.38 115.34 7.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.915 -0.584 . . . . 2.29 109.594 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.61 -104.16 0.88 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.711 -0.757 . . . . 1.3 112.017 -175.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -122.72 13.92 10.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.309 0.576 . . . . 2.35 109.659 175.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.6 m -103.29 126.64 50.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.729 -0.668 . . . . 0.97 110.135 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.407 ' HB ' HD23 ' A' ' 28' ' ' LEU . 21.3 t -125.61 120.16 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.836 -0.62 . . . . 0.68 109.992 -178.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.462 ' HA ' ' HB3' ' A' ' 29' ' ' LEU . 59.0 m -109.91 116.1 31.02 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.276 -0.42 . . . . 0.8 110.126 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.1 t -81.37 122.01 35.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.377 -0.601 . . . . 1.01 109.377 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.321 -0.648 0 CA-C-O 120.972 0.415 . . . . 1.87 110.855 -173.924 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 . . . . . 0 CA--C 1.517 -0.309 0 CA-C-O 121.428 0.633 . . . . 1.99 111.079 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.413 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 24.8 m-90 -109.71 138.15 46.49 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.042 -0.981 . . . . 1.17 109.23 176.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -90.72 97.04 10.94 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.415 -0.957 . . . . 1.13 108.415 175.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.7 mt -102.04 157.02 17.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.057 -0.974 . . . . 0.75 111.488 -170.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -141.07 98.94 3.48 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.458 -0.941 . . . . 2.12 108.458 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 94.2 mt -108.18 122.81 39.44 Favored Pre-proline 0 C--N 1.315 -0.893 0 CA-C-N 115.467 -0.788 . . . . 0.91 111.048 -173.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 49.0 Cg_exo -59.84 156.45 38.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 123.896 3.064 . . . . 0.35 114.018 -177.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -104.62 32.56 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.005 -0.998 . . . . 0.43 109.148 173.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -100.46 -155.56 0.52 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.473 -1.24 . . . . 1.61 109.079 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 m -53.56 137.85 35.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.17 0.51 . . . . 1.3 110.331 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 51.3 tpp -49.97 -29.3 8.23 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.024 -0.989 . . . . 1.29 111.526 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -54.65 -40.77 69.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.693 -0.685 . . . . 2.26 111.16 176.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.6 m -75.95 -38.61 57.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.577 0.227 . . . . 1.2 110.607 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.43 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -57.74 -51.01 71.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.38 110.755 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.65 -43.37 84.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.884 -0.598 . . . . 0.92 110.639 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.53 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 34.5 tt0 -59.81 -45.55 92.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.119 -0.491 . . . . 2.19 110.543 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.16 -35.01 78.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 0.31 110.976 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.6 tp -65.5 -42.13 92.44 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.9 0.381 . . . . 1.03 110.768 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.03 -46.27 88.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.587 -0.733 . . . . 0.44 110.631 -175.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 25.4 mtpp -63.83 -34.61 78.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.23 -0.896 . . . . 3.41 111.335 -178.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -86.72 -23.85 25.38 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.782 0.66 . . . . 1.52 112.782 -172.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.8 p -113.65 6.68 17.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.177 -0.609 . . . . 0.76 112.22 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 57.51 35.79 26.21 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.138 -0.483 . . . . 2.11 111.539 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.6 p -103.31 159.65 15.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.049 0.452 . . . . 0.76 111.782 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -103.58 119.09 38.2 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.212 -0.662 . . . . 2.39 109.212 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.502 HD23 ' HB ' ' A' ' 71' ' ' VAL . 65.2 mt -107.66 122.3 46.43 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.362 0.601 . . . . 1.51 111.589 -173.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' A' ' 72' ' ' THR . 1.1 tm? -110.53 93.82 4.69 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 107.515 -1.291 . . . . 2.03 107.515 174.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.538 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 40.3 p90 -117.6 162.8 17.42 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.186 -0.461 . . . . 0.96 110.53 -174.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.439 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 23.5 m -106.25 95.28 11.05 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.503 -0.771 . . . . 1.78 110.476 -178.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.538 ' HD3' ' O ' ' A' ' 30' ' ' TYR . 17.1 Cg_exo -66.72 -37.13 22.13 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.756 2.304 . . . . 1.37 112.273 -177.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.07 -30.11 63.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.189 0.518 . . . . 2.96 109.848 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 25.5 t70 -80.34 -18.06 50.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.446 -0.797 . . . . 2.22 111.598 -176.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.459 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 45.2 pt -90.64 -20.37 6.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.093 -0.643 . . . . 1.09 110.1 177.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.16 32.64 72.02 Favored Glycine 0 C--N 1.334 0.424 0 CA-C-N 115.288 -0.869 . . . . 1.4 114.045 169.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.78 87.08 0.55 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.838 -0.696 . . . . 1.05 112.505 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.2 mt -119.51 159.03 25.1 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.163 -0.31 . . . . 1.72 110.163 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.39 139.87 49.62 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.517 -0.549 . . . . 3.77 109.517 170.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.427 ' OG ' ' HB2' ' A' ' 16' ' ' ALA . 5.1 p -92.57 159.67 15.38 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.556 -0.747 . . . . 0.56 111.348 -176.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.6 t -88.29 127.03 35.46 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 107.933 -1.136 . . . . 1.54 107.933 170.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -53.26 110.8 0.59 Allowed 'General case' 0 C--O 1.236 0.362 0 O-C-N 123.642 0.589 . . . . 0.84 111.213 -175.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 43' ' ' LEU . 1.9 tm? -110.23 86.0 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.347 -0.982 . . . . 1.42 108.347 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.51 110.89 15.63 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.49 -0.777 . . . . 2.43 110.429 -175.351 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.72 -163.57 35.52 Favored Glycine 0 N--CA 1.442 -0.96 0 CA-C-N 115.523 -0.762 . . . . 0.37 111.444 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 78.8 mtp180 -102.23 110.42 22.37 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.638 -0.505 . . . . 3.27 109.638 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -144.24 156.96 44.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.492 -0.322 . . . . 1.98 110.488 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.94 162.28 26.1 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.246 -0.65 . . . . 1.86 109.246 173.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.59 -56.02 26.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.677 0.217 . . . . 1.18 111.213 -174.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -58.32 -40.33 81.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.934 0.397 . . . . 2.39 111.143 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.467 ' O ' HG13 ' A' ' 55' ' ' ILE . 4.3 m -61.83 -45.85 92.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.74 -0.664 . . . . 1.33 110.775 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -61.05 -41.11 95.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.037 -0.528 . . . . 1.21 110.953 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 97.8 mt -64.72 -39.99 94.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.064 -0.516 . . . . 0.7 110.816 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -65.19 -39.26 92.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.975 -0.557 . . . . 3.38 111.144 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 51' ' ' SER . 67.8 mt -64.42 -52.47 54.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.654 0.264 . . . . 1.24 111.232 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.79 -38.34 81.63 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.292 0.478 . . . . 1.63 112.292 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.441 ' HA ' ' OG1' ' A' ' 60' ' ' THR . 8.4 mp -104.37 11.63 34.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.292 0.478 . . . . 2.17 112.292 -174.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -56.37 -44.1 79.83 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.618 0.599 . . . . 2.3 112.618 -177.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.28 16.29 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.06 -1.067 . . . . 1.42 113.271 -173.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 57' ' ' LEU . 11.8 p -96.17 2.23 52.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.867 0.365 . . . . 1.25 111.617 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.68 22.3 63.89 Favored Glycine 0 C--N 1.333 0.361 0 C-N-CA 121.139 -0.553 . . . . 1.35 113.285 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.7 mt -100.7 158.94 15.58 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.973 -0.38 . . . . 1.28 109.973 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.498 ' NE ' ' HA ' ' A' ' 63' ' ' ARG . 4.5 mmp_? -120.99 127.3 51.65 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.801 0.334 . . . . 4.21 110.196 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.405 ' HB3' HD22 ' A' ' 57' ' ' LEU . 39.7 p90 -100.42 117.6 34.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.768 -0.651 . . . . 1.37 109.635 177.157 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.473 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 49.1 tt0 -106.57 115.44 30.2 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 109.505 -0.554 . . . . 2.64 109.505 178.025 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.3 tt -98.95 114.95 38.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.563 0.697 . . . . 1.28 110.121 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -119.94 99.54 6.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.932 -1.031 . . . . 2.29 109.422 -176.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.52 -103.36 0.67 Allowed Glycine 0 CA--C 1.519 0.296 0 C-N-CA 121.034 -0.603 . . . . 1.3 112.061 -174.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -112.73 9.16 19.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.256 0.551 . . . . 2.35 109.949 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 m -105.73 136.78 44.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.702 -0.681 . . . . 0.97 110.527 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.502 ' HB ' HD23 ' A' ' 28' ' ' LEU . 47.7 t -119.27 122.28 68.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.405 -0.591 . . . . 0.68 109.405 176.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.473 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 15.2 m -103.23 114.96 29.67 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.504 -0.316 . . . . 0.8 110.307 -176.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.6 104.02 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.04 -0.527 . . . . 1.01 110.112 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 115.733 -0.667 . . . . 1.87 110.022 -178.867 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 109.735 -0.468 . . . . 1.99 109.735 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.2 m-90 -118.25 149.34 41.28 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.965 -0.561 . . . . 1.17 110.498 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.6 m -91.51 98.35 11.62 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 108.019 -1.104 . . . . 1.13 108.019 172.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 76.8 mt -112.12 119.13 37.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.632 -0.713 . . . . 0.75 111.597 -170.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.497 ' HA ' ' HB3' ' A' ' 44' ' ' LYS . 14.3 t70 -95.0 115.86 27.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.261 -0.644 . . . . 2.12 109.261 169.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.643 HD11 HD23 ' A' ' 20' ' ' LEU . 35.1 mm -105.15 120.95 48.08 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-O 120.753 0.311 . . . . 0.91 110.3 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.519 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 32.4 Cg_exo -60.18 146.1 97.06 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 123.166 2.578 . . . . 0.35 112.639 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.45 29.64 4.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.635 0.731 . . . . 0.43 109.816 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -95.17 -156.76 0.53 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.998 -1.001 . . . . 1.61 109.285 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.2 m -53.55 140.73 27.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.034 0.445 . . . . 1.3 110.207 174.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.41 ' HB3' HD12 ' A' ' 35' ' ' ILE . 50.7 tpp -51.14 -33.65 27.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.087 -0.96 . . . . 1.29 111.615 -177.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -55.46 -38.39 68.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 2.26 111.024 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.2 t -70.57 -44.11 68.06 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.919 -0.4 . . . . 1.2 109.919 -176.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.519 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.61 -47.02 85.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.867 -0.606 . . . . 0.38 111.009 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.44 ' O ' HD12 ' A' ' 28' ' ' LEU . 96.3 mt -64.86 -50.35 66.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.971 -0.559 . . . . 0.92 110.999 -178.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -62.25 -37.44 85.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.786 0.327 . . . . 2.19 110.879 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.4 80.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.301 -0.409 . . . . 0.31 110.787 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.643 HD23 HD11 ' A' ' 8' ' ' ILE . 2.7 tm? -66.05 -41.45 90.8 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.352 -0.61 . . . . 1.03 109.352 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.86 -51.55 67.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.47 -0.786 . . . . 0.44 110.199 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -63.29 -51.22 66.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.019 -0.991 . . . . 3.41 111.578 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -72.73 -25.55 61.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.691 . . . . 1.52 112.806 -169.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.16 13.15 21.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.22 0.533 . . . . 0.76 110.941 -176.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 53.15 62.07 2.85 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.744 -1.116 . . . . 2.11 111.189 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.0 p -139.12 165.14 27.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.189 -0.46 . . . . 0.76 111.378 -176.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -110.85 123.11 49.47 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.397 -0.594 . . . . 2.39 109.397 175.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.556 HD23 ' HB ' ' A' ' 71' ' ' VAL . 76.7 mt -120.43 127.07 51.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.099 0.476 . . . . 1.51 111.065 -176.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -107.64 121.77 45.36 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.825 -0.625 . . . . 2.03 109.675 176.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -157.46 151.12 24.06 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.9 -0.591 . . . . 0.96 109.972 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 m -106.47 111.35 64.11 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 116.38 -0.373 . . . . 1.78 110.553 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.95 -23.64 69.12 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.993 2.462 . . . . 1.37 112.464 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -71.55 -40.94 69.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.784 -0.644 . . . . 2.96 111.326 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -88.03 -5.83 58.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.858 -0.61 . . . . 2.22 111.882 -170.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.446 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 29.9 pt -97.3 12.19 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 1.09 110.506 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.35 -6.63 5.57 Favored Glycine 0 CA--C 1.52 0.371 0 CA-C-N 115.64 -0.709 . . . . 1.4 114.686 170.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.42 49.04 21.39 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.253 -0.975 . . . . 1.05 111.088 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 58.9 mt -83.73 173.24 11.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.531 -0.335 . . . . 1.72 110.166 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.52 144.18 46.22 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.794 -0.447 . . . . 3.77 109.794 174.367 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 p -90.87 160.85 15.5 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.66 -0.7 . . . . 0.56 112.162 -174.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -91.88 134.02 35.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.184 -0.916 . . . . 1.54 109.127 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.19 105.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.84 111.457 -176.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 43' ' ' LEU . 1.3 tm? -115.78 99.61 7.43 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.828 -0.805 . . . . 1.42 108.828 176.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 30.1 pttt -135.92 126.51 27.05 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.343 0.592 . . . . 2.43 111.47 -178.278 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.61 -162.59 33.57 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 114.891 -1.05 . . . . 0.37 110.654 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.08 97.46 9.95 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.451 -0.574 . . . . 3.27 109.451 177.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -137.48 148.63 46.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.184 -0.462 . . . . 1.98 110.192 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -82.66 179.17 7.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.973 -0.38 . . . . 1.86 109.973 175.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 60.6 tp -58.74 -57.28 13.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.472 -0.331 . . . . 1.18 111.339 -176.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -63.61 -36.99 85.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.496 -0.32 . . . . 2.39 110.911 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.2 t -60.46 -54.31 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.434 -0.348 . . . . 1.33 110.583 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.7 p -61.96 -43.62 98.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.259 -0.428 . . . . 1.21 111.389 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 91.0 mt -60.34 -46.65 89.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.593 -0.276 . . . . 0.7 111.476 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -61.73 -42.11 98.53 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.858 0.318 . . . . 3.38 111.858 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.2 mt -73.49 -45.31 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.679 0.276 . . . . 1.24 111.178 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 tt -68.49 -46.81 68.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 1.63 111.128 -175.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 62' ' ' LEU . 22.7 tp -71.07 -36.02 72.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.365 -0.38 . . . . 2.17 111.112 -174.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -46.82 111.2 0.36 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.871 -0.604 . . . . 2.3 112.389 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.18 -12.74 21.77 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.693 -0.765 . . . . 1.42 113.373 175.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.0 p -91.82 -8.12 47.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.088 0.444 . . . . 1.25 112.184 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.59 10.23 84.72 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.663 -0.779 . . . . 1.35 113.045 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.749 ' HB2' HD11 ' A' ' 57' ' ' LEU . 64.8 mt -101.05 161.16 13.79 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.964 -0.384 . . . . 1.28 109.964 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 63' ' ' ARG . 49.3 mtt180 -127.34 145.6 50.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.477 -0.329 . . . . 4.21 110.213 177.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -105.9 121.83 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.3 0.571 . . . . 1.37 110.901 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.44 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 6.5 tp-100 -97.45 105.88 18.1 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.471 -0.937 . . . . 2.64 108.471 171.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.7 tt -101.91 124.7 55.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.487 0.661 . . . . 1.28 111.662 -171.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -126.78 88.85 2.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.541 -0.754 . . . . 2.29 109.585 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.6 -98.2 0.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.731 -0.668 . . . . 1.3 112.693 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -113.08 -0.86 14.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.159 0.504 . . . . 2.35 110.543 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.2 m -108.43 132.18 54.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.788 -0.642 . . . . 0.97 109.988 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.556 ' HB ' HD23 ' A' ' 28' ' ' LEU . 50.3 t -128.23 130.25 69.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.77 0.319 . . . . 0.68 110.412 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.44 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 30.2 m -108.44 112.92 25.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.185 -0.461 . . . . 0.8 109.946 178.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -90.29 106.34 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.147 0.498 . . . . 1.01 110.115 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 115.797 -0.638 . . . . 1.87 110.55 -177.875 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 . . . . . 0 C--O 1.235 0.328 0 N-CA-C 109.523 -0.547 . . . . 1.99 109.523 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -129.51 154.55 46.9 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.815 -0.809 . . . . 1.17 108.815 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 5' ' ' THR . 6.9 t -88.16 97.29 10.91 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.043 -1.095 . . . . 1.13 108.043 173.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.739 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 84.0 mt -95.26 94.68 8.02 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.336 -1.302 . . . . 0.75 109.72 -173.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.499 ' HA ' ' CB ' ' A' ' 44' ' ' LYS . 4.7 m-20 -100.93 97.76 8.31 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.826 -1.079 . . . . 2.12 108.663 -178.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.533 HD11 HD13 ' A' ' 20' ' ' LEU . 96.0 mt -109.9 125.05 31.99 Favored Pre-proline 0 C--N 1.313 -1.018 0 CA-C-N 115.227 -0.897 . . . . 0.91 111.472 -169.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.681 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 45.0 Cg_exo -58.02 158.73 20.38 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 124.077 3.184 . . . . 0.35 114.243 -175.12 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.07 28.94 7.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.787 -1.097 . . . . 0.43 109.434 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.444 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 79.5 mt-30 -99.11 -161.79 0.9 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.446 -1.252 . . . . 1.61 109.252 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 p -55.47 137.53 48.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.073 0.463 . . . . 1.3 110.077 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.411 ' HB2' HD12 ' A' ' 35' ' ' ILE . 34.7 mtt -50.95 -25.28 4.45 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.354 -0.839 . . . . 1.29 112.655 -178.284 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -55.38 -43.36 75.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.635 0.255 . . . . 2.26 110.497 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.4 m -76.69 -44.58 33.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.1 0.476 . . . . 1.2 110.243 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.681 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.45 -50.78 71.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.588 -0.733 . . . . 0.38 111.907 -176.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.51 -39.16 85.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.258 -0.428 . . . . 0.92 110.7 -177.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -65.26 -34.25 77.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.015 0.436 . . . . 2.19 110.735 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -66.89 -38.79 86.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.31 110.294 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.533 HD13 HD11 ' A' ' 8' ' ' ILE . 65.2 tp -65.33 -34.69 78.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.826 -0.624 . . . . 1.03 109.74 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.28 95.21 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.415 -0.811 . . . . 0.44 110.248 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -64.5 -47.59 78.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.776 -0.647 . . . . 3.41 110.901 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.654 ' OE1' ' HA ' ' A' ' 6' ' ' LEU . 78.1 mt-30 -65.14 -37.26 86.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.773 -0.649 . . . . 1.52 112.579 -171.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.9 p -110.57 18.0 20.16 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.099 -0.375 . . . . 0.76 111.356 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 40.95 37.56 0.55 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.096 0.958 . . . . 2.11 112.302 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -99.97 167.28 10.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.655 -0.702 . . . . 0.76 111.273 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -106.72 118.83 37.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.806 -0.634 . . . . 2.39 110.024 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.55 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 8.5 mp -115.01 131.79 56.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.207 0.527 . . . . 1.51 110.713 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 29' ' ' LEU . 3.7 mm? -107.57 116.84 32.67 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.548 -0.751 . . . . 2.03 109.537 177.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -152.33 142.88 22.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.955 -0.566 . . . . 0.96 109.868 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.9 t -108.14 125.62 31.59 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 116.186 -0.461 . . . . 1.78 109.793 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.33 -28.44 84.73 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.903 2.402 . . . . 1.37 111.89 176.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -71.85 -34.22 69.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 2.96 109.945 176.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -79.64 -26.31 41.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.527 -0.76 . . . . 2.22 111.027 -173.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.477 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 17.8 pt -93.78 -19.3 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.713 0.292 . . . . 1.09 110.831 177.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.58 4.49 65.56 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.066 -0.588 . . . . 1.4 113.423 175.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.2 34.75 19.84 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.594 -0.812 . . . . 1.05 112.217 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 90.1 mt -75.98 143.97 41.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.09 -0.337 . . . . 1.72 110.09 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 37.7 ptt180 -90.1 137.93 31.93 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.244 0.545 . . . . 3.77 110.326 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 p -88.5 161.19 17.13 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.485 -0.779 . . . . 0.56 111.462 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.1 m -86.54 132.37 33.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.556 -0.747 . . . . 1.54 109.726 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.4 106.16 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.7 -0.682 . . . . 0.84 111.997 -174.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 tt -116.82 93.62 4.27 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.146 -1.057 . . . . 1.42 108.146 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.739 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 21.5 pttp -131.38 121.21 24.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.398 0.618 . . . . 2.43 110.957 -178.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.26 -163.7 35.31 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.583 -0.735 . . . . 0.37 111.678 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -99.95 98.16 8.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.969 0.414 . . . . 3.27 110.094 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -137.74 173.8 11.26 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.089 -0.505 . . . . 1.98 110.186 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -95.43 171.73 8.52 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.057 -0.72 . . . . 1.86 109.057 171.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.18 -56.37 22.37 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.884 0.327 . . . . 1.18 111.884 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -57.81 -49.29 77.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 2.39 112.229 -174.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.6 m -61.79 -39.22 90.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.713 0.292 . . . . 1.33 111.624 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.3 m -61.13 -41.2 96.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.559 -0.291 . . . . 1.21 110.981 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.89 -34.34 77.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.7 110.74 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.4 ' HD2' ' OH ' ' A' ' 64' ' ' TYR . 27.2 mmm180 -59.57 -51.01 71.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 3.38 111.02 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.5 mt -80.61 -31.63 12.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.152 -0.476 . . . . 1.24 111.645 -174.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.461 ' HB3' HD22 ' A' ' 57' ' ' LEU . 3.5 tt -65.89 -46.72 77.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.469 -0.332 . . . . 1.63 110.927 -175.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.807 HD12 ' HB2' ' A' ' 62' ' ' LEU . 3.0 mm? -86.16 -18.39 32.37 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 121.092 -0.243 . . . . 2.17 111.03 -177.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -50.19 101.01 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 2.3 111.943 174.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.27 -17.91 26.08 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.553 -0.832 . . . . 1.42 113.582 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.9 p -92.68 -2.64 55.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.277 0.539 . . . . 1.25 111.811 -176.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.5 19.84 67.21 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 121.135 -0.555 . . . . 1.35 113.705 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.807 ' HB2' HD12 ' A' ' 57' ' ' LEU . 59.5 mt -92.22 154.48 18.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.388 -0.478 . . . . 1.28 110.277 -179.162 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -112.89 125.16 54.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.962 -0.563 . . . . 4.21 109.724 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.4 ' OH ' ' HD2' ' A' ' 54' ' ' ARG . 44.0 p90 -113.51 122.97 48.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.244 0.545 . . . . 1.37 111.311 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.441 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -100.26 107.7 19.59 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.957 -0.757 . . . . 2.64 108.957 174.246 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.5 tt -109.5 125.73 66.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.061 0.458 . . . . 1.28 110.756 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -145.99 122.74 11.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.833 -0.621 . . . . 2.29 109.85 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.55 -108.03 1.65 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.707 . . . . 1.3 112.192 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.3 p-10 -121.45 17.89 11.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.457 0.646 . . . . 2.35 109.996 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 31.5 m -113.93 132.19 56.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.394 -0.821 . . . . 0.97 110.383 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.55 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 47.4 t -128.97 128.81 67.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.209 -0.451 . . . . 0.68 110.046 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.441 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 22.9 m -114.62 119.08 35.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.834 -0.432 . . . . 0.8 109.834 178.133 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.0 t -113.34 112.99 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.487 -0.324 . . . . 1.01 110.483 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.073 -0.512 . . . . 1.87 110.57 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 109.583 -0.525 . . . . 1.99 109.583 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.532 ' HZ3' ' H ' ' A' ' 49' ' ' LEU . 30.1 m-90 -126.45 150.43 48.69 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.488 -0.56 . . . . 1.17 109.488 179.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 m -88.73 99.29 12.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.962 -0.755 . . . . 1.13 108.962 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.46 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 70.2 mt -101.49 148.59 25.01 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.863 -0.608 . . . . 0.75 111.65 -170.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -139.1 106.51 5.54 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.275 -1.009 . . . . 2.12 108.275 173.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.489 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 87.0 mt -115.09 125.74 28.61 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.458 -0.792 . . . . 0.91 111.187 -169.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.633 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 47.5 Cg_exo -58.52 156.63 30.55 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.646 2.897 . . . . 0.35 113.708 -177.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.542 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -109.94 22.21 15.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.053 -0.976 . . . . 0.43 109.676 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.54 HE21 ' CB ' ' A' ' 15' ' ' SER . 11.6 pt20 -99.43 -150.9 0.38 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.982 -1.008 . . . . 1.61 109.079 178.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.3 t -51.08 131.96 27.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.163 0.506 . . . . 1.3 110.94 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.43 ' HB3' HD12 ' A' ' 35' ' ' ILE . 46.7 tpp -50.41 -28.37 8.04 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 114.922 -1.036 . . . . 1.29 110.895 178.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -53.51 -42.61 67.52 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.541 -0.754 . . . . 2.26 111.266 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.54 ' CB ' HE21 ' A' ' 11' ' ' GLN . 8.5 m -78.23 -39.23 41.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.834 0.349 . . . . 1.2 110.58 -176.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.633 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -59.29 -45.18 91.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 0.38 111.257 -178.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.3 mt -65.44 -41.11 93.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.124 -0.489 . . . . 0.92 110.985 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -65.58 -37.21 86.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.661 0.267 . . . . 2.19 111.083 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.547 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -65.83 -41.83 91.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.31 110.698 178.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.485 HD13 HD11 ' A' ' 8' ' ' ILE . 67.0 tp -65.73 -35.07 79.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 1.03 110.148 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.429 ' HB2' HD13 ' A' ' 28' ' ' LEU . . . -62.0 -58.3 8.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.225 -0.898 . . . . 0.44 111.034 -176.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -65.74 -22.14 66.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.957 -0.565 . . . . 3.41 112.034 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 42.0 mt-30 -83.36 -22.58 32.76 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.634 -0.426 . . . . 1.52 111.748 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.6 p -116.54 1.54 12.93 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.758 -0.377 . . . . 0.76 111.886 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.9 t70 57.52 47.06 16.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.485 -0.78 . . . . 2.11 110.344 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 p -114.48 156.26 24.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.771 -0.65 . . . . 0.76 110.89 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -104.09 120.31 40.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.605 -0.517 . . . . 2.39 109.605 177.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.429 HD13 ' HB2' ' A' ' 21' ' ' ALA . 10.5 mp -110.19 130.5 55.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.173 0.511 . . . . 1.51 110.941 -176.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.8 tp -112.54 111.24 21.92 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.559 -0.746 . . . . 2.03 109.453 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -151.98 151.36 31.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.379 -0.373 . . . . 0.96 110.163 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.438 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 50.6 m -96.21 107.48 35.47 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.463 -0.569 . . . . 1.78 109.463 177.132 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 31' ' ' SER . 35.6 Cg_exo -59.8 -37.1 88.76 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.54 2.826 . . . . 1.37 113.641 -172.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -79.23 -22.48 44.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.315 0.579 . . . . 2.96 110.523 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -81.69 -15.67 53.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.767 -0.651 . . . . 2.22 110.892 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.43 HD12 ' HB3' ' A' ' 13' ' ' MET . 24.6 pt -97.55 13.78 4.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.179 0.514 . . . . 1.09 109.868 177.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.2 -17.05 1.92 Allowed Glycine 0 C--N 1.334 0.426 0 CA-C-N 115.575 -0.739 . . . . 1.4 114.225 172.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.18 37.78 48.13 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.139 -1.029 . . . . 1.05 111.139 -174.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' A' ' 38' ' ' LEU . 3.8 pp -84.87 161.77 19.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.533 -0.543 . . . . 1.72 109.533 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 5.2 ptp180 -80.57 142.38 34.15 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.234 0.54 . . . . 3.77 111.048 -177.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.4 p -89.85 160.11 16.64 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.183 -0.917 . . . . 0.56 110.553 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -87.64 124.67 33.78 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.099 -0.704 . . . . 1.54 109.099 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.542 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -56.82 108.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.831 -0.622 . . . . 0.84 111.434 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.9 tp -111.27 87.24 2.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.45 0.643 . . . . 1.42 109.627 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -115.93 117.56 30.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.651 -0.704 . . . . 2.43 110.56 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.58 -163.58 34.91 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.204 -0.758 . . . . 0.37 111.204 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.532 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 38.4 ttp180 -115.62 103.06 10.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 117.406 0.603 . . . . 3.27 109.768 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -142.83 171.75 13.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.817 0.341 . . . . 1.98 111.183 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -72.35 164.63 26.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.487 -0.779 . . . . 1.86 110.249 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.532 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 64.2 tp -60.71 -58.32 8.96 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.103 0.478 . . . . 1.18 110.006 176.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -61.9 -34.32 75.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.428 -0.805 . . . . 2.39 111.185 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.2 t -62.28 -49.99 73.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.264 -0.425 . . . . 1.33 110.25 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.6 m -61.64 -42.25 98.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 1.21 111.106 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 96.0 mt -56.89 -44.33 82.2 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.866 0.365 . . . . 0.7 110.767 177.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 54' ' ' ARG . 41.5 ttp180 -60.29 -47.28 86.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.98 -0.555 . . . . 3.38 111.149 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.4 mt -64.18 -47.13 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.788 0.328 . . . . 1.24 111.503 -178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.535 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -69.25 -35.4 76.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.916 0.389 . . . . 1.63 110.912 -176.086 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.535 HD12 ' HB3' ' A' ' 56' ' ' LEU . 8.4 mp -106.49 20.86 18.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.721 -0.218 . . . . 2.17 111.54 -177.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -52.25 -38.57 58.53 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.334 0.494 . . . . 2.3 112.334 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -164.18 34.02 0.28 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.658 -0.782 . . . . 1.42 112.313 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.466 ' OG1' ' HA ' ' A' ' 57' ' ' LEU . 2.1 p -88.17 -0.49 57.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.886 0.374 . . . . 1.25 111.552 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.18 1.87 86.1 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.761 -0.733 . . . . 1.35 112.093 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.72 150.19 22.56 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.919 -0.4 . . . . 1.28 109.919 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.751 ' HB2' HG23 ' A' ' 74' ' ' THR . 49.7 mtp180 -117.76 138.37 52.09 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.094 -0.503 . . . . 4.21 109.913 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -103.26 117.36 34.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.529 0.68 . . . . 1.37 111.057 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.549 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 26.4 tt0 -108.01 113.42 26.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.327 -0.851 . . . . 2.64 109.433 174.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.4 tt -99.89 126.29 53.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.429 0.633 . . . . 1.28 110.553 -177.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -134.39 101.86 5.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.404 -0.816 . . . . 2.29 109.761 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.04 -105.52 0.79 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.913 -0.66 . . . . 1.3 112.381 -175.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -110.03 9.2 24.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.027 0.442 . . . . 2.35 110.32 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.5 m -108.1 134.38 51.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.807 -0.633 . . . . 0.97 111.127 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.413 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 40.9 t -112.57 112.83 42.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.77 -0.826 . . . . 0.68 108.77 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.549 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 9.2 m -101.18 116.86 33.81 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 110.06 -0.348 . . . . 0.8 110.06 -176.081 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.3 t -98.68 112.7 31.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.016 -0.538 . . . . 1.01 110.077 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . 0.751 HG23 ' HB2' ' A' ' 63' ' ' ARG . 1.9 t . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 116.011 -0.541 . . . . 1.87 109.905 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.536 -0.542 . . . . 1.99 109.536 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.525 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 26.3 m-90 -126.35 148.53 49.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.755 0.312 . . . . 1.17 111.155 -172.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.8 m -89.73 103.89 16.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.663 -0.866 . . . . 1.13 108.663 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.537 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 34.9 mt -117.87 118.13 31.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.867 -0.606 . . . . 0.75 111.03 -171.199 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -95.62 98.59 10.61 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.739 -0.837 . . . . 2.12 108.739 171.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.454 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 41.8 mm -101.13 120.13 56.01 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.108 -0.496 . . . . 0.91 111.154 -173.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.498 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 49.1 Cg_exo -58.89 157.99 26.57 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.694 2.929 . . . . 0.35 113.546 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.574 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -116.72 32.01 6.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.334 -0.848 . . . . 0.43 109.599 178.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -99.62 -148.08 0.35 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.637 -1.165 . . . . 1.61 108.815 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -52.37 130.34 30.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.998 0.427 . . . . 1.3 110.632 174.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.3 tpp -50.37 -31.68 15.38 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.248 -0.887 . . . . 1.29 111.262 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.64 -40.55 65.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.311 -0.859 . . . . 2.26 110.532 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 m -75.49 -41.8 54.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.117 -0.492 . . . . 1.2 110.318 -176.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.498 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.49 -45.32 93.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.789 -0.641 . . . . 0.38 111.357 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.29 -47.41 76.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.356 -0.384 . . . . 0.92 110.956 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -61.88 -39.64 92.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.306 -0.406 . . . . 2.19 110.363 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.62 88.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.31 110.955 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' CD1' HD13 ' A' ' 6' ' ' LEU . 64.5 tp -67.21 -42.15 84.58 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.595 0.712 . . . . 1.03 110.09 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.405 ' HB2' HD13 ' A' ' 28' ' ' LEU . . . -62.83 -52.81 61.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.556 -1.202 . . . . 0.44 110.346 -178.068 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.19 -41.34 96.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.374 -0.83 . . . . 3.41 111.63 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -76.41 -10.32 59.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.335 0.495 . . . . 1.52 112.335 -174.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.6 p -115.72 1.53 13.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.335 0.588 . . . . 0.76 110.27 173.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.0 t0 51.48 43.09 29.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.623 -1.171 . . . . 2.11 111.051 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -104.38 173.72 6.18 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.579 -0.737 . . . . 0.76 109.886 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -110.15 114.97 28.9 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.542 -0.54 . . . . 2.39 109.542 177.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 7.8 mp -109.5 122.46 47.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.108 0.48 . . . . 1.51 110.433 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 tt -106.27 117.57 34.38 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.467 -0.788 . . . . 2.03 109.463 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -150.29 148.07 28.41 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.787 -0.819 . . . . 0.96 108.787 177.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.416 ' HA ' ' HD2' ' A' ' 32' ' ' PRO . 33.3 t -102.63 112.83 65.98 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 116.593 -0.276 . . . . 1.78 110.268 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 31' ' ' SER . 5.5 Cg_endo -47.14 -48.73 14.12 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 123.775 2.983 . . . . 1.37 114.034 -169.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -73.17 -21.98 60.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.91 0.385 . . . . 2.96 111.289 -175.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.32 -5.3 59.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.133 0.42 . . . . 2.22 112.133 -172.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.426 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 26.9 pt -106.56 7.68 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.931 0.396 . . . . 1.09 110.555 175.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.06 6.5 32.3 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 115.646 -0.706 . . . . 1.4 114.124 173.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.37 47.76 68.53 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.711 -0.757 . . . . 1.05 111.888 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 92.3 mt -82.82 157.73 23.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.053 -0.351 . . . . 1.72 110.053 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -96.37 146.19 24.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.053 0.454 . . . . 3.77 110.755 176.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 p -87.97 157.45 18.92 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.597 -0.729 . . . . 0.56 111.395 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.9 m -87.88 126.4 35.01 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.23 -0.656 . . . . 1.54 109.23 174.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.574 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -56.3 101.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.446 0.466 . . . . 0.84 111.659 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tt -117.9 91.74 3.65 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.881 -0.785 . . . . 1.42 108.881 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.537 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 25.7 pttm -119.72 122.8 42.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.389 0.614 . . . . 2.43 110.612 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.45 -162.98 34.22 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.052 -0.819 . . . . 0.37 111.052 -176.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 13.2 ttm180 -105.62 97.64 7.45 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.632 -0.507 . . . . 3.27 109.632 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -137.95 149.33 46.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.212 0.53 . . . . 1.98 111.19 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.99 151.67 46.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.891 -1.05 . . . . 1.86 111.032 175.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.71 -58.91 6.29 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.631 0.253 . . . . 1.18 111.344 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -61.26 -37.54 83.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.318 -0.401 . . . . 2.39 110.705 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.4 t -60.94 -46.68 89.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.167 -0.47 . . . . 1.33 109.849 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.8 m -61.16 -43.67 98.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 1.21 110.675 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.29 -36.66 75.97 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.119 -0.492 . . . . 0.7 110.924 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 97.3 mtt180 -69.23 -51.57 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.218 -0.447 . . . . 3.38 111.081 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.2 mm -70.17 -43.22 79.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 111.942 0.349 . . . . 1.24 111.942 -175.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.17 -53.45 53.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.66 -0.246 . . . . 1.63 110.946 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.4 mp -71.23 -27.23 63.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.585 -0.279 . . . . 2.17 111.409 -176.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 53.4 tt0 -49.13 104.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.062 0.545 . . . . 2.3 111.67 178.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.55 -16.97 12.42 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.992 -0.623 . . . . 1.42 112.898 176.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.0 p -94.04 -10.67 32.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.727 0.299 . . . . 1.25 111.799 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.12 12.74 82.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.508 -0.854 . . . . 1.35 113.079 -177.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.9 mt -96.39 150.92 20.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.287 0.543 . . . . 1.28 110.227 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -119.35 135.13 54.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.392 -0.367 . . . . 4.21 110.423 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -100.08 147.45 25.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.063 -0.517 . . . . 1.37 110.511 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.562 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 20.9 mm-40 -128.39 111.37 13.25 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.338 -0.616 . . . . 2.64 109.338 177.198 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.9 tt -103.3 101.52 12.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.674 0.749 . . . . 1.28 110.554 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -119.05 105.49 11.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.347 -0.842 . . . . 2.29 109.665 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.73 -108.07 1.82 Allowed Glycine 0 CA--C 1.518 0.237 0 C-N-CA 121.033 -0.603 . . . . 1.3 112.357 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -112.61 8.8 19.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.275 0.56 . . . . 2.35 110.174 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.7 m -111.17 129.21 56.02 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.626 -0.715 . . . . 0.97 110.649 -176.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.562 ' HA ' ' O ' ' A' ' 65' ' ' GLN . 25.2 t -121.57 123.26 69.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.698 -0.683 . . . . 0.68 109.649 -177.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.525 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 31.4 m -106.05 125.53 51.1 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.519 -0.31 . . . . 0.8 110.349 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.1 t -100.45 95.32 3.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.544 -0.539 . . . . 1.01 109.544 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 115.802 -0.635 . . . . 1.87 110.768 -176.195 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 109.805 -0.443 . . . . 1.99 109.805 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.521 ' HZ3' ' H ' ' A' ' 49' ' ' LEU . 22.2 m-90 -130.45 157.68 41.96 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.221 -0.445 . . . . 1.17 109.88 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 p -89.01 97.62 11.3 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 108.354 -0.98 . . . . 1.13 108.354 171.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.675 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 78.3 mt -111.0 111.48 22.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.485 -0.78 . . . . 0.75 110.887 -170.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.625 ' HA ' ' CB ' ' A' ' 44' ' ' LYS . 22.1 m-20 -95.07 100.66 12.45 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.355 -0.609 . . . . 2.12 109.355 174.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.434 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 47.0 mm -101.7 118.47 59.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.94 -0.573 . . . . 0.91 110.443 -177.339 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.6 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 35.9 Cg_exo -60.45 149.64 85.28 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.4 2.733 . . . . 0.35 113.047 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.11 29.38 3.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.52 -0.764 . . . . 0.43 109.862 176.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -97.32 -157.6 0.6 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.874 -1.057 . . . . 1.61 108.87 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.3 m -55.35 143.57 28.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.993 0.425 . . . . 1.3 110.594 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.1 tpp -50.61 -29.81 11.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.432 -0.804 . . . . 1.29 111.17 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -54.87 -38.79 67.96 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.028 -0.533 . . . . 2.26 111.054 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.7 t -79.01 -43.66 23.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.113 0.482 . . . . 1.2 109.749 -176.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.6 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -60.59 -48.53 81.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.56 -0.745 . . . . 0.38 111.748 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.71 -48.02 83.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.402 -0.363 . . . . 0.92 111.417 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -65.55 -34.75 78.98 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.183 -0.207 . . . . 2.19 111.521 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.19 92.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.941 0.4 . . . . 0.31 110.498 176.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.83 -39.5 87.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 1.03 110.422 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.527 ' HB2' HD13 ' A' ' 28' ' ' LEU . . . -62.61 -46.07 89.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.424 -0.807 . . . . 0.44 110.249 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -62.68 -40.64 97.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.183 -0.917 . . . . 3.41 111.311 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.407 HE21 ' HB2' ' A' ' 23' ' ' GLN . 20.2 mt-30 -80.07 -20.88 44.14 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.114 0.783 . . . . 1.52 113.114 -172.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.0 p -118.42 7.1 11.84 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.471 -0.491 . . . . 0.76 112.165 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.5 t70 51.59 46.85 25.88 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.577 -0.738 . . . . 2.11 111.046 -178.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 p -113.39 161.68 17.0 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.955 -0.566 . . . . 0.76 111.207 -177.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -105.34 124.3 49.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.551 -0.537 . . . . 2.39 109.551 176.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.597 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 10.3 mp -115.15 124.19 50.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.359 0.599 . . . . 1.51 110.752 -177.099 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -107.23 116.25 31.6 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.25 -0.886 . . . . 2.03 109.097 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -148.16 144.72 27.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.955 0.407 . . . . 0.96 111.053 -175.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.564 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 7.3 m -104.69 118.66 55.88 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.826 -0.625 . . . . 1.78 109.56 176.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.09 -35.98 83.52 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.392 2.728 . . . . 1.37 112.981 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.8 -28.82 62.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.33 0.586 . . . . 2.96 110.559 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.564 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 28.4 t70 -92.21 -1.63 57.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.511 -0.768 . . . . 2.22 110.597 -168.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.442 HG13 ' H ' ' A' ' 37' ' ' GLY . 35.0 pt -109.07 -8.48 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.971 -0.559 . . . . 1.09 110.321 176.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.74 10.72 80.39 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 116.042 -0.526 . . . . 1.4 114.156 173.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.442 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 62.17 39.45 97.68 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.973 -0.632 . . . . 1.05 112.537 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.3 mt -79.27 159.79 27.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.63 0.253 . . . . 1.72 110.688 -177.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -108.72 148.17 30.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.984 0.421 . . . . 3.77 110.159 176.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 p -90.35 159.9 16.38 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.726 -0.67 . . . . 0.56 110.466 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 t -89.29 147.12 24.28 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.773 -0.825 . . . . 1.54 108.773 173.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.98 101.86 0.05 Allowed 'General case' 0 C--O 1.233 0.186 0 O-C-N 123.507 0.504 . . . . 0.84 111.568 -176.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 tp -122.56 82.91 2.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.29 -0.633 . . . . 1.42 109.29 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.675 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 17.7 pttp -130.69 111.24 12.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.772 0.796 . . . . 2.43 110.982 -176.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.74 -159.47 30.92 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 114.908 -1.042 . . . . 0.37 110.686 -170.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 46' ' ' ARG . 26.2 mtp180 -85.42 106.39 16.74 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.686 -0.857 . . . . 3.27 108.686 176.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -135.29 143.3 46.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.011 0.434 . . . . 1.98 110.841 -174.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -80.09 146.61 31.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.379 -0.828 . . . . 1.86 109.464 172.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.521 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 62.5 tp -58.04 -57.53 12.42 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.645 0.259 . . . . 1.18 111.117 -173.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -58.69 -41.05 85.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.921 -0.581 . . . . 2.39 110.609 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.425 ' O ' HG13 ' A' ' 55' ' ' ILE . 22.4 m -61.87 -43.79 98.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.723 -0.671 . . . . 1.33 111.165 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 m -59.81 -43.58 94.42 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.848 0.356 . . . . 1.21 110.716 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.92 -42.56 97.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.796 -0.638 . . . . 0.7 110.506 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 51.6 ttp180 -64.1 -47.17 81.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.904 -0.589 . . . . 3.38 110.987 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 51' ' ' SER . 81.4 mt -61.07 -57.01 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.595 0.236 . . . . 1.24 111.28 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.44 -46.95 86.19 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.325 0.491 . . . . 1.63 112.325 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.424 HD22 ' HB3' ' A' ' 64' ' ' TYR . 7.1 mp -99.11 17.78 18.99 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.279 0.474 . . . . 2.17 112.279 -174.007 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 36.3 tt0 -52.39 -59.49 4.36 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.933 0.397 . . . . 2.3 111.894 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.66 34.0 4.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.399 -0.905 . . . . 1.42 112.792 -175.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.6 p -89.81 -4.71 57.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.792 0.296 . . . . 1.25 111.724 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.36 6.05 86.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 1.35 112.338 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.7 mt -102.11 165.87 10.92 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.901 -0.407 . . . . 1.28 109.901 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -110.02 125.78 53.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.29 -0.414 . . . . 4.21 110.267 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.424 ' HB3' HD22 ' A' ' 57' ' ' LEU . 12.3 p90 -100.09 116.17 31.49 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.156 -0.683 . . . . 1.37 109.156 170.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.599 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 28.8 tt0 -113.35 111.22 21.63 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.537 -0.756 . . . . 2.64 110.567 -177.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.2 tt -108.72 128.03 64.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.102 0.477 . . . . 1.28 110.447 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -143.57 116.44 8.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.836 -0.62 . . . . 2.29 109.389 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.87 -108.96 2.48 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.9 -0.666 . . . . 1.3 111.508 -174.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -123.31 19.15 9.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.434 0.635 . . . . 2.35 109.654 175.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.1 m -109.8 132.97 53.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.23 -0.895 . . . . 0.97 110.006 179.27 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.597 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 22.8 t -118.6 129.0 75.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.88 -0.6 . . . . 0.68 109.729 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.599 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 6.3 m -114.66 123.89 50.45 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.859 -0.423 . . . . 0.8 109.859 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.6 t -112.53 102.12 13.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.063 0.459 . . . . 1.01 110.118 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.861 -0.608 . . . . 1.87 110.216 -177.537 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 N--CA 1.45 -0.454 0 CA-C-O 120.934 0.397 . . . . 1.99 110.349 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.548 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 26.3 m-90 -134.82 158.59 43.81 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.925 -0.58 . . . . 1.17 109.681 -177.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 m -100.69 98.2 8.77 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.989 -1.115 . . . . 1.13 107.989 174.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.576 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 78.5 mt -97.4 127.05 43.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.956 -0.565 . . . . 0.75 111.713 -168.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.546 ' HA ' ' HD3' ' A' ' 44' ' ' LYS . 50.7 t0 -98.5 97.53 8.84 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.74 -0.837 . . . . 2.12 108.74 173.409 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.497 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 44.9 mm -103.61 124.26 38.57 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.156 -0.474 . . . . 0.91 110.593 -176.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.666 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 35.4 Cg_exo -62.24 155.76 54.79 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 123.344 2.696 . . . . 0.35 112.721 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -108.74 19.85 19.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.589 0.709 . . . . 0.43 109.93 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -98.8 -157.79 0.63 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.085 -0.962 . . . . 1.61 109.327 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.5 t -49.7 132.43 21.78 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.819 0.342 . . . . 1.3 110.389 178.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.463 ' HG2' ' HG ' ' A' ' 17' ' ' LEU . 51.6 ttm -53.58 -22.77 9.13 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.572 -0.74 . . . . 1.29 111.271 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -50.47 -48.71 56.56 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.7 -0.682 . . . . 2.26 110.69 172.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.0 m -75.67 -36.15 60.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.942 0.401 . . . . 1.2 110.558 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.666 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.7 -53.47 53.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 0.38 112.387 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.463 ' HG ' ' HG2' ' A' ' 13' ' ' MET . 91.1 mt -64.17 -41.82 96.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.756 0.312 . . . . 0.92 110.971 -176.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -64.46 -34.26 77.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.395 -0.366 . . . . 2.19 110.866 177.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.04 -43.53 82.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.444 -0.344 . . . . 0.31 110.841 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.66 -40.29 95.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 1.03 110.65 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.788 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -62.47 -52.58 62.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.279 -0.873 . . . . 0.44 110.411 -177.063 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -64.44 -30.38 71.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.36 -0.836 . . . . 3.41 111.73 -176.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -79.61 -22.67 43.36 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.085 0.402 . . . . 1.52 112.085 -176.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.0 p -116.98 10.48 14.02 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.937 -0.305 . . . . 0.76 111.589 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 56.67 35.74 26.61 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.739 -0.664 . . . . 2.11 110.967 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.433 ' OG1' ' HA ' ' A' ' 21' ' ' ALA . 18.2 p -105.84 177.9 4.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.136 0.493 . . . . 0.76 111.66 -175.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -123.56 126.02 45.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.499 -0.773 . . . . 2.39 109.898 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.788 HD23 ' HB2' ' A' ' 21' ' ' ALA . 3.4 mm? -105.95 120.55 42.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.747 0.308 . . . . 1.51 110.572 179.26 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.3 mt -108.2 110.29 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.536 -0.542 . . . . 2.03 109.536 175.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -156.27 163.42 39.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.319 -0.401 . . . . 0.96 110.318 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.433 ' HB2' ' OD2' ' A' ' 34' ' ' ASP . 14.0 m -121.23 140.96 32.08 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 109.368 -0.604 . . . . 1.78 109.368 175.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.488 ' HA ' HG12 ' A' ' 35' ' ' ILE . 31.6 Cg_exo -59.5 -22.24 65.51 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.956 2.437 . . . . 1.37 112.475 -177.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -73.89 -14.52 61.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.987 -0.551 . . . . 2.96 111.461 178.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' OD2' ' HB2' ' A' ' 31' ' ' SER . 38.3 m-20 -91.81 -16.4 26.84 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.107 0.48 . . . . 2.22 109.713 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.739 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 26.8 pt -107.18 -11.78 10.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.776 -0.647 . . . . 1.09 110.805 -173.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.3 5.73 29.86 Favored Glycine 0 CA--C 1.52 0.384 0 CA-C-N 116.24 -0.436 . . . . 1.4 113.937 173.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.667 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 66.56 35.92 90.66 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.932 -0.651 . . . . 1.05 112.473 -178.326 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 2.6 pp -103.4 170.18 8.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.026 0.441 . . . . 1.72 110.722 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -93.7 139.2 31.09 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.841 -0.618 . . . . 3.77 110.581 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.4 p -88.04 168.25 12.98 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.238 -0.892 . . . . 0.56 110.953 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.7 m -86.72 129.33 34.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.884 -0.598 . . . . 1.54 109.632 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -57.08 103.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.8 -0.636 . . . . 0.84 111.222 -177.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.55 84.22 2.15 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.161 -0.681 . . . . 1.42 109.161 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 19.9 ttpt -114.67 103.87 11.42 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.85 -0.614 . . . . 2.43 110.288 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.29 -163.51 21.29 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 115.292 -0.867 . . . . 0.37 111.123 -177.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.548 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 39.9 ttm180 -124.18 103.94 8.55 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.912 0.387 . . . . 3.27 110.396 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -141.14 171.51 13.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.789 -0.641 . . . . 1.98 109.591 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -70.05 170.12 12.05 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.945 -0.391 . . . . 1.86 109.945 172.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 60.7 tp -59.25 -58.09 10.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.778 0.323 . . . . 1.18 110.719 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -62.1 -35.48 78.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.911 -0.586 . . . . 2.39 110.928 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.465 ' O ' HG12 ' A' ' 55' ' ' ILE . 44.8 t -62.14 -51.78 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.859 -0.61 . . . . 1.33 110.427 178.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -60.96 -41.44 96.35 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.182 -0.463 . . . . 1.21 111.105 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 97.0 mt -57.77 -46.05 85.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.505 . . . . 0.7 111.471 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -67.08 -47.36 71.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.406 . . . . 3.38 111.08 -175.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 51' ' ' SER . 45.8 mm -60.49 -30.07 45.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.283 -0.417 . . . . 1.24 111.358 -176.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.408 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.9 tt -84.5 -62.92 1.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.297 -0.41 . . . . 1.63 111.331 -177.48 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 64' ' ' TYR . 8.5 mp -70.47 -29.97 66.66 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.878 0.695 . . . . 2.17 112.878 -169.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -49.72 -46.31 50.08 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.956 0.408 . . . . 2.3 111.387 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.77 -27.54 73.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.89 -0.671 . . . . 1.42 112.798 -176.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.9 p -92.89 17.75 10.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.309 0.485 . . . . 1.25 112.309 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.72 40.98 95.6 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 121.328 -0.463 . . . . 1.35 113.933 174.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.5 mt -127.82 164.22 22.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.996 0.398 . . . . 1.28 110.217 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -113.23 127.34 56.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.015 -0.365 . . . . 4.21 110.015 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.461 ' HB3' HD22 ' A' ' 57' ' ' LEU . 17.7 p90 -100.6 120.15 39.61 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.172 0.511 . . . . 1.37 110.374 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.423 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 33.7 tt0 -103.91 110.46 22.6 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.803 -0.443 . . . . 2.64 109.803 171.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.9 tt -100.56 123.7 53.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.1 -0.5 . . . . 1.28 110.426 -177.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -136.85 105.52 5.84 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.608 -0.516 . . . . 2.29 109.608 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.26 -109.97 3.15 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.988 -0.625 . . . . 1.3 112.255 -174.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -112.91 7.76 18.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.186 0.517 . . . . 2.35 109.663 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.2 m -107.48 130.82 54.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.462 -0.79 . . . . 0.97 110.429 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.543 ' HB ' HD13 ' A' ' 28' ' ' LEU . 40.0 t -117.89 125.3 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.152 -0.477 . . . . 0.68 109.732 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.423 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 19.3 m -108.34 116.8 32.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.322 -0.399 . . . . 0.8 110.212 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.4 t -88.21 115.69 28.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.178 -0.465 . . . . 1.01 110.089 179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 115.913 -0.585 . . . . 1.87 110.142 -178.879 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.506 ' HB3' ' HG2' ' A' ' 46' ' ' ARG . 40.7 mt-10 . . . . . 0 N--CA 1.446 -0.655 0 CA-C-O 121.095 0.474 . . . . 1.99 110.098 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.481 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 20.5 m-90 -127.94 153.52 46.6 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.787 -0.642 . . . . 1.17 109.613 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.5 m -91.06 97.67 11.31 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.293 -1.003 . . . . 1.13 108.293 174.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.518 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 89.2 mt -95.42 107.73 19.89 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.883 -0.599 . . . . 0.75 110.881 -173.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -93.25 97.71 10.8 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.653 -0.869 . . . . 2.12 108.653 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 44.6 mm -107.51 119.45 50.6 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.492 -0.776 . . . . 0.91 110.502 -175.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.596 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 31.4 Cg_exo -60.9 145.38 99.13 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.093 2.528 . . . . 0.35 113.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -97.2 27.28 4.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.389 -0.823 . . . . 0.43 109.953 176.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -93.8 -155.21 0.44 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.98 -1.009 . . . . 1.61 109.047 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 m -53.2 137.75 33.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.079 0.466 . . . . 1.3 110.353 175.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.446 ' HB3' HD12 ' A' ' 35' ' ' ILE . 58.5 tpp -47.96 -31.56 5.42 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.073 -0.967 . . . . 1.29 111.924 -178.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -56.67 -41.65 77.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.965 -0.561 . . . . 2.26 111.864 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 m -72.03 -40.91 68.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.99 0.424 . . . . 1.2 110.156 -176.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.596 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.75 -50.79 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.652 -0.703 . . . . 0.38 111.784 -179.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.16 -39.88 86.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.471 -0.331 . . . . 0.92 111.118 -176.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -62.98 -36.59 84.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.175 0.512 . . . . 2.19 110.468 176.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.85 91.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.811 -0.631 . . . . 0.31 110.514 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.573 HD23 HD21 ' A' ' 28' ' ' LEU . 59.6 tp -66.1 -38.89 89.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.221 0.534 . . . . 1.03 110.014 -179.27 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.61 -48.12 82.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.354 -0.839 . . . . 0.44 110.387 -177.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -66.11 -46.27 78.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.88 -1.054 . . . . 3.41 111.47 177.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.84 -42.16 99.63 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.19 0.811 . . . . 1.52 113.19 -173.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 p -109.93 8.96 24.48 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.428 -0.509 . . . . 0.76 112.334 -174.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.6 t70 54.28 59.29 4.28 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.817 0.818 . . . . 2.11 110.532 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.12 159.82 39.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.912 -0.585 . . . . 0.76 109.881 -178.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -106.36 125.72 51.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.874 -0.417 . . . . 2.39 109.874 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.75 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 8.7 mp -116.19 123.64 48.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.29 -0.414 . . . . 1.51 110.332 -177.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 29' ' ' LEU . 3.9 mm? -108.59 119.33 39.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.044 -0.526 . . . . 2.03 110.057 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.577 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 49.9 p90 -151.67 151.86 32.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.078 -0.51 . . . . 0.96 110.186 179.424 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.585 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 4.1 m -96.69 118.84 64.77 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.026 -0.534 . . . . 1.78 109.654 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 31' ' ' SER . 32.4 Cg_exo -58.97 -28.83 88.88 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.036 2.49 . . . . 1.37 112.69 -176.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -75.75 -23.54 56.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.871 -0.604 . . . . 2.96 111.132 177.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.585 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 3.4 m-20 -98.53 -0.18 43.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.74 0.274 . . . . 2.22 111.74 -172.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.527 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 34.3 pt -98.78 6.47 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.873 -0.417 . . . . 1.09 109.873 178.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.23 8.02 21.8 Favored Glycine 0 C--N 1.331 0.265 0 CA-C-N 115.478 -0.783 . . . . 1.4 114.438 172.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.99 36.01 71.67 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 121.088 -0.577 . . . . 1.05 112.344 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 4.1 pp -97.47 166.09 11.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.53 0.205 . . . . 1.72 110.621 -175.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -89.91 142.49 27.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.178 0.513 . . . . 3.77 110.22 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 p -83.38 160.66 21.57 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.46 -0.791 . . . . 0.56 111.923 -174.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.2 t -89.5 103.44 16.08 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.373 -0.973 . . . . 1.54 108.373 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -55.82 118.76 4.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.554 -0.748 . . . . 0.84 112.333 -173.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -104.53 84.74 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.941 -1.133 . . . . 1.42 107.941 173.331 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 59.6 tttp -108.49 102.62 11.69 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.186 -0.916 . . . . 2.43 110.282 -173.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.92 -163.76 34.9 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.562 -0.828 . . . . 0.37 112.422 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.506 ' HG2' ' HB3' ' A' ' 3' ' ' GLU . 20.1 ttp180 -107.93 99.56 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.547 -0.538 . . . . 3.27 109.547 -178.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -139.29 168.21 20.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.868 0.366 . . . . 1.98 111.012 -178.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.54 169.55 17.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.46 -0.791 . . . . 1.86 109.251 171.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.14 -58.7 7.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.768 0.318 . . . . 1.18 110.876 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -64.99 -30.98 72.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 2.39 112.029 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -60.85 -50.81 71.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.247 0.546 . . . . 1.33 109.912 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 m -61.89 -45.24 94.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.505 -0.771 . . . . 1.21 110.825 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.556 HD13 HD11 ' A' ' 66' ' ' ILE . 13.4 mt -55.88 -48.68 75.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.083 -0.508 . . . . 0.7 111.844 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -60.53 -49.03 79.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.399 -0.364 . . . . 3.38 111.409 -177.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.5 mt -72.83 -34.45 46.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.754 0.312 . . . . 1.24 111.459 -174.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 tt -71.12 -49.68 41.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.516 -0.311 . . . . 1.63 110.696 -177.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.893 ' HG ' ' HB3' ' A' ' 64' ' ' TYR . 4.5 mm? -77.02 -36.89 55.89 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.188 0.44 . . . . 2.17 112.188 -173.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -50.0 110.09 0.36 Allowed 'General case' 0 C--O 1.236 0.362 0 O-C-N 123.219 0.324 . . . . 2.3 111.616 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.64 65.73 1.49 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.986 -0.626 . . . . 1.42 112.234 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.8 p -144.43 -33.59 0.39 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.005 0.431 . . . . 1.25 110.898 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 112.14 -15.8 25.38 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.685 -0.966 . . . . 1.35 110.685 -173.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 79.6 mt -108.44 154.46 21.85 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.067 -0.345 . . . . 1.28 110.067 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -118.63 137.35 53.34 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.881 -0.414 . . . . 4.21 109.881 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.893 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 16.9 p90 -100.18 118.26 36.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.353 0.597 . . . . 1.37 110.929 -178.208 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.54 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 16.5 mm100 -108.82 134.14 51.92 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.687 -0.688 . . . . 2.64 109.983 173.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.556 HD11 HD13 ' A' ' 53' ' ' LEU . 57.5 mt -108.23 106.71 21.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.174 0.512 . . . . 1.28 109.753 177.23 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -114.41 105.39 13.06 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.281 -0.637 . . . . 2.29 109.281 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.79 -110.91 3.77 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.061 -0.59 . . . . 1.3 112.161 -174.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -114.03 23.77 12.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.79 0.805 . . . . 2.35 109.053 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.0 m -118.81 137.52 53.34 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.952 -1.022 . . . . 0.97 110.497 -173.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.75 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 34.3 t -108.46 117.53 54.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.089 -0.708 . . . . 0.68 109.089 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.54 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 19.2 m -104.45 113.1 26.44 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.8 0.333 . . . . 0.8 110.139 -177.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.577 ' HB ' ' HB3' ' A' ' 30' ' ' TYR . 39.9 t -95.39 98.12 7.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.843 -0.617 . . . . 1.01 109.414 178.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.319 -0.75 0 CA-C-N 115.712 -0.676 . . . . 1.87 109.898 -176.56 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 . . . . . 0 C--O 1.237 0.422 0 CA-C-O 120.976 0.417 . . . . 1.99 111.068 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.629 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 23.6 m-90 -126.35 153.51 44.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.595 -0.73 . . . . 1.17 109.593 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.0 m -89.62 99.16 12.22 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.43 -0.582 . . . . 1.13 109.43 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.629 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 26.6 mt -106.09 110.08 22.22 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.674 -0.694 . . . . 0.75 110.963 -172.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -93.53 98.58 11.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.246 -0.65 . . . . 2.12 109.246 172.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.469 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 40.8 mm -100.38 123.01 47.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.813 0.339 . . . . 0.91 111.237 -176.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.767 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 34.4 Cg_exo -64.35 162.16 31.55 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.599 2.866 . . . . 0.35 113.443 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -113.15 31.58 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.781 0.8 . . . . 0.43 109.794 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -103.41 -151.89 0.44 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.709 -1.132 . . . . 1.61 109.717 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 m -54.38 132.48 44.24 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.043 -0.526 . . . . 1.3 110.213 173.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.1 tpp -48.46 -32.13 7.33 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 114.907 -1.042 . . . . 1.29 111.516 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -53.46 -42.64 67.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.773 -0.648 . . . . 2.26 111.226 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.4 m -74.38 -41.54 60.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.937 0.399 . . . . 1.2 110.43 -176.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.767 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.12 -44.84 95.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.898 -0.592 . . . . 0.38 111.38 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.89 -46.99 73.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.258 -0.428 . . . . 0.92 111.279 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.63 -35.78 78.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 2.19 110.573 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.97 90.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.31 110.676 176.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.611 HD21 HD11 ' A' ' 53' ' ' LEU . 47.0 tp -64.58 -38.05 89.67 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.339 0.59 . . . . 1.03 109.673 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.04 99.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.754 -1.112 . . . . 0.44 109.96 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -61.12 -40.96 95.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.599 -0.728 . . . . 3.41 111.089 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.45 -35.08 78.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.082 -0.508 . . . . 1.52 112.313 -177.321 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.472 HG21 HD13 ' A' ' 49' ' ' LEU . 12.6 p -117.08 3.93 12.73 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.666 0.617 . . . . 0.76 112.666 -173.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.38 37.55 29.05 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.333 0.587 . . . . 2.11 110.995 -175.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.0 p -98.92 157.11 16.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.665 -0.698 . . . . 0.76 111.101 -176.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -103.59 120.74 41.49 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.72 -0.673 . . . . 2.39 109.762 176.108 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.551 ' CD2' ' HB ' ' A' ' 71' ' ' VAL . 63.4 mt -104.61 121.04 42.7 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.088 -0.506 . . . . 1.51 109.753 -177.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -97.25 109.14 21.95 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.321 -0.622 . . . . 2.03 109.321 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.57 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 32.1 p90 -163.63 163.36 24.42 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.413 -0.812 . . . . 0.96 109.201 -177.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.449 ' HB2' ' OD2' ' A' ' 34' ' ' ASP . 48.7 m -126.43 116.28 23.16 Favored Pre-proline 0 C--N 1.316 -0.879 0 CA-C-O 120.907 0.384 . . . . 1.78 110.462 178.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 31' ' ' SER . 31.7 Cg_exo -59.83 -18.94 51.97 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.218 2.612 . . . . 1.37 112.298 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -71.41 -37.09 71.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.792 -0.64 . . . . 2.96 109.958 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.449 ' OD2' ' HB2' ' A' ' 31' ' ' SER . 83.2 m-20 -72.12 -18.22 61.92 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.65 -0.704 . . . . 2.22 112.056 -177.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.61 HG13 ' H ' ' A' ' 37' ' ' GLY . 36.9 pt -99.35 -10.66 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.739 -0.384 . . . . 1.09 111.137 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.96 16.26 61.55 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 121.176 -0.535 . . . . 1.4 113.337 176.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.61 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 79.11 65.52 1.8 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.723 -0.751 . . . . 1.05 112.613 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.9 mt -86.04 154.3 21.52 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.04 -0.356 . . . . 1.72 110.04 176.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -96.7 142.0 29.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.89 0.376 . . . . 3.77 110.037 173.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.6 p -89.12 155.1 19.65 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.856 -0.611 . . . . 0.56 111.229 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.6 t -88.63 131.3 35.04 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.082 -0.71 . . . . 1.54 109.082 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.29 100.73 0.07 Allowed 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.649 0.593 . . . . 0.84 111.722 -177.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.3 mt -118.09 84.26 2.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.844 -0.616 . . . . 1.42 109.759 175.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 45.2 pttt -116.62 116.32 27.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.553 0.692 . . . . 2.43 111.197 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.82 -163.0 33.94 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 114.896 -1.047 . . . . 0.37 111.054 -176.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.629 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 9.8 ptm180 -120.41 113.02 19.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.967 0.383 . . . . 3.27 110.596 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -155.31 -179.88 8.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.719 0.295 . . . . 1.98 111.148 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -67.58 144.56 55.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.436 -0.802 . . . . 1.86 111.031 178.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.472 HD13 HG21 ' A' ' 24' ' ' THR . 44.1 tp -60.33 -60.12 4.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.596 0.236 . . . . 1.18 110.888 -176.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.734 ' HG3' ' HE2' ' A' ' 64' ' ' TYR . 63.4 tt0 -57.76 -34.69 69.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.205 0.526 . . . . 2.39 110.581 -177.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.7 t -64.38 -46.1 84.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.38 -0.827 . . . . 1.33 111.268 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.9 p -62.5 -48.2 80.62 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 111.406 0.15 . . . . 1.21 111.406 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.611 HD11 HD21 ' A' ' 20' ' ' LEU . 6.3 mp -59.57 -30.6 68.76 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.627 0.251 . . . . 0.7 111.277 176.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 57.8 ttp180 -61.75 -35.99 79.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.516 -0.311 . . . . 3.38 110.339 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.1 mt -74.18 -50.11 29.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.994 0.426 . . . . 1.24 110.665 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.96 -51.23 60.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.703 -0.68 . . . . 1.63 111.265 -173.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.493 ' HA ' ' OG1' ' A' ' 60' ' ' THR . 10.2 mp -72.93 -26.97 61.58 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.011 -0.276 . . . . 2.17 111.439 -175.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.556 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 62.3 tt0 -45.1 -49.97 11.41 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.352 0.408 . . . . 2.3 111.811 172.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.56 -20.71 73.87 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.812 -0.708 . . . . 1.42 113.031 -175.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.493 ' OG1' ' HA ' ' A' ' 57' ' ' LEU . 12.2 p -99.56 5.27 46.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.665 0.269 . . . . 1.25 111.718 -176.414 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.34 26.96 59.94 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 121.375 -0.44 . . . . 1.35 113.355 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.87 161.88 13.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.082 0.468 . . . . 1.28 110.974 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -121.35 149.62 42.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.741 -0.663 . . . . 4.21 109.969 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.734 ' HE2' ' HG3' ' A' ' 50' ' ' GLN . 9.2 p90 -131.35 125.37 32.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.283 0.563 . . . . 1.37 110.809 -178.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.506 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 67.0 mt-30 -104.45 119.24 38.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.334 -0.848 . . . . 2.64 109.185 175.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.406 HG12 HG22 ' A' ' 71' ' ' VAL . 18.5 mt -111.28 120.9 62.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.273 0.559 . . . . 1.28 111.013 -177.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -134.6 103.47 5.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.386 -0.824 . . . . 2.29 109.476 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.27 -101.68 0.85 Allowed Glycine 0 C--N 1.328 0.119 0 C-N-CA 121.06 -0.591 . . . . 1.3 112.065 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -122.5 18.43 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.062 -0.718 . . . . 2.35 109.062 174.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.8 m -110.0 118.98 37.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.253 -0.885 . . . . 0.97 109.775 -176.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.551 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 23.9 t -122.46 129.3 75.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.982 0.42 . . . . 0.68 110.321 -177.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 8.7 m -106.91 113.68 27.31 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.344 -0.389 . . . . 0.8 110.428 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.57 ' HB ' ' HB3' ' A' ' 30' ' ' TYR . 38.4 t -92.93 94.63 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.356 -0.609 . . . . 1.01 109.356 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.319 -0.75 0 CA-C-N 115.781 -0.645 . . . . 1.87 110.616 -174.19 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 . . . . . 0 N--CA 1.447 -0.609 0 N-CA-C 108.765 -0.828 . . . . 1.99 108.765 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.568 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 15.2 m-90 -134.56 160.94 36.48 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.501 -0.318 . . . . 1.17 110.365 -175.266 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.4 m -94.82 97.98 10.42 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.012 -1.107 . . . . 1.13 108.012 172.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.727 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 83.7 mt -104.42 117.57 34.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.719 -0.673 . . . . 0.75 111.072 -171.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -98.17 107.3 19.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.223 -0.444 . . . . 2.12 110.273 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.507 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 1.7 mp -101.88 125.75 36.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.249 -0.432 . . . . 0.91 110.091 178.305 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.945 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 29.9 Cg_exo -64.88 161.25 37.25 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.687 2.925 . . . . 0.35 113.759 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.44 33.64 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.308 -0.86 . . . . 0.43 109.714 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 65.8 mt-30 -96.4 -164.99 1.21 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.146 -0.934 . . . . 1.61 108.81 177.481 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.5 m -55.98 144.42 28.65 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.558 -0.534 . . . . 1.3 109.558 169.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.46 ' HB3' HD12 ' A' ' 35' ' ' ILE . 52.2 tpp -49.78 -23.53 1.88 Allowed 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.643 0.777 . . . . 1.29 111.626 -179.05 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -55.19 -47.37 75.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 2.26 110.783 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.4 m -76.56 -36.92 57.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.572 -0.285 . . . . 1.2 110.556 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.945 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -57.33 -52.27 66.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.243 -0.435 . . . . 0.38 111.336 177.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.34 -32.87 70.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.418 -0.355 . . . . 0.92 110.72 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -62.29 -48.72 78.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.484 . . . . 2.19 110.385 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 23' ' ' GLN . . . -65.52 -34.31 77.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.865 -0.607 . . . . 0.31 110.476 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.3 tp -66.62 -41.53 88.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.97 0.414 . . . . 1.03 110.173 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.95 85.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.543 -0.753 . . . . 0.44 110.155 -175.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.792 ' HE2' ' HA ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -65.9 -25.67 67.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.852 -1.067 . . . . 3.41 110.896 178.865 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 6.7 tt0 -93.53 -25.42 17.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.74 0.644 . . . . 1.52 112.74 -168.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.1 p -117.2 -0.51 12.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.76 111.612 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.3 t70 58.01 44.16 19.96 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.457 -0.792 . . . . 2.11 110.447 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.04 167.52 10.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.96 -0.564 . . . . 0.76 109.825 -178.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -98.17 117.32 32.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.915 0.388 . . . . 2.39 109.964 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.55 HD13 ' HB ' ' A' ' 71' ' ' VAL . 4.4 mm? -108.19 114.9 29.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.85 -0.614 . . . . 1.51 110.678 -177.213 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -106.4 113.31 26.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 2.03 109.521 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -141.95 143.06 33.05 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.202 -0.454 . . . . 0.96 110.42 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.664 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 14.5 m -102.04 114.97 65.33 Favored Pre-proline 0 C--N 1.315 -0.908 0 CA-C-N 115.764 -0.653 . . . . 1.78 109.958 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -56.95 -41.23 77.52 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.604 2.869 . . . . 1.37 113.333 -174.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.491 ' OE2' ' HB3' ' A' ' 31' ' ' SER . 0.0 OUTLIER -78.29 -22.82 47.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.544 -0.298 . . . . 2.96 111.183 -179.84 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.664 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 33.0 t70 -83.99 -26.41 29.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.829 0.347 . . . . 2.22 110.671 -177.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.507 HG13 ' H ' ' A' ' 37' ' ' GLY . 27.3 pt -96.84 -3.23 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.368 -0.378 . . . . 1.09 110.468 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.3 5.09 33.31 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 115.854 -0.612 . . . . 1.4 113.761 174.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.507 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 62.27 36.62 93.3 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.048 -0.596 . . . . 1.05 112.436 -178.402 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.91 157.35 36.44 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.909 -0.404 . . . . 1.72 109.909 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.61 ' H ' ' HD2' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -86.54 139.22 31.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.227 0.536 . . . . 3.77 110.598 -178.75 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 p -89.34 155.51 19.31 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.529 -0.76 . . . . 0.56 111.269 -177.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m -89.55 130.8 35.81 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.575 -0.898 . . . . 1.54 108.575 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.21 112.87 0.88 Allowed 'General case' 0 C--O 1.236 0.351 0 O-C-N 123.633 0.583 . . . . 0.84 111.973 -173.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.45 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 1.7 tm? -109.68 92.43 4.05 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.853 -1.166 . . . . 1.42 107.853 174.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.727 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 9.9 ptmt -136.53 118.56 15.35 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.6 0.714 . . . . 2.43 111.978 -176.24 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.47 -163.83 35.33 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 114.969 -1.014 . . . . 0.37 110.771 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.568 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 20.2 ttt180 -99.29 96.41 7.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.162 0.481 . . . . 3.27 109.815 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -137.78 160.54 38.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.973 -0.558 . . . . 1.98 109.674 -177.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -83.62 168.13 16.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.535 -0.543 . . . . 1.86 109.535 173.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.53 -52.95 63.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.127 0.267 . . . . 1.18 111.405 -175.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -57.24 -49.29 76.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 2.39 111.497 -177.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.428 ' O ' HG12 ' A' ' 55' ' ' ILE . 68.1 m -61.2 -44.2 97.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.437 -0.347 . . . . 1.33 111.365 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.9 m -60.1 -43.55 95.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.713 0.292 . . . . 1.21 110.95 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.98 -43.13 99.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.7 110.917 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -67.47 -48.36 67.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.975 -0.557 . . . . 3.38 111.535 -177.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 51' ' ' SER . 47.1 mm -67.41 -25.77 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.967 0.413 . . . . 1.24 110.831 -178.208 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.593 ' HB3' HD12 ' A' ' 57' ' ' LEU . 2.7 tt -74.72 -55.2 6.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.465 -0.334 . . . . 1.63 110.226 178.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.593 HD12 ' HB3' ' A' ' 56' ' ' LEU . 6.7 mp -95.98 25.52 4.71 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.692 -0.231 . . . . 2.17 111.296 -177.346 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -50.15 -57.62 7.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 2.3 112.147 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.63 32.19 3.24 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.278 -0.963 . . . . 1.42 112.775 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.9 p -91.82 2.05 56.77 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.242 0.46 . . . . 1.25 112.242 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.81 23.78 72.62 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.871 -0.681 . . . . 1.35 112.925 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.474 ' HB2' HD23 ' A' ' 57' ' ' LEU . 88.4 mt -114.4 161.74 17.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.703 -0.48 . . . . 1.28 109.703 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -111.05 124.32 51.94 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.809 0.338 . . . . 4.21 110.367 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.434 ' HB3' HD22 ' A' ' 57' ' ' LEU . 41.0 p90 -103.59 117.03 33.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.887 -0.597 . . . . 1.37 109.854 172.263 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 36.0 tt0 -106.98 111.68 24.29 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.841 -0.618 . . . . 2.64 109.739 177.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.8 tt -110.8 109.84 29.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.4 0.619 . . . . 1.28 110.317 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -129.52 102.08 6.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.614 -0.721 . . . . 2.29 109.686 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.37 -110.52 3.51 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.753 -0.737 . . . . 1.3 111.785 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -109.35 9.28 25.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.062 0.458 . . . . 2.35 110.537 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.6 m -105.54 121.06 43.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.837 -0.62 . . . . 0.97 110.778 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.55 ' HB ' HD13 ' A' ' 28' ' ' LEU . 44.6 t -120.23 120.32 62.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.437 -0.579 . . . . 0.68 109.437 176.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.0 m -114.14 126.28 54.9 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.77 0.319 . . . . 0.8 110.758 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.484 HG13 HD21 ' A' ' 57' ' ' LEU . 84.6 t -116.1 108.2 24.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 1.01 110.593 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.32 -0.681 0 CA-C-N 115.819 -0.628 . . . . 1.87 109.973 -178.996 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.453 ' HB3' ' HG2' ' A' ' 46' ' ' ARG . 45.3 mt-10 . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 121.278 0.561 . . . . 1.99 111.51 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.588 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 18.6 m-90 -140.0 163.43 32.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.949 -1.023 . . . . 1.17 108.788 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.6 m -96.01 98.78 10.64 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.248 -1.019 . . . . 1.13 108.248 174.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt -87.74 157.11 19.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.436 -0.802 . . . . 0.75 111.297 -172.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -138.15 98.07 3.54 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.371 -0.831 . . . . 2.12 108.796 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.7 HD11 HD13 ' A' ' 20' ' ' LEU . 69.0 mt -117.71 118.0 35.36 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 116.007 -0.542 . . . . 0.91 110.849 -175.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.807 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 42.8 Cg_exo -59.13 165.4 8.83 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 123.763 2.975 . . . . 0.35 113.914 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.594 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -119.06 41.45 3.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.067 -0.97 . . . . 0.43 109.156 177.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -114.75 -151.02 0.47 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.32 -1.309 . . . . 1.61 108.777 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 p -53.15 132.6 38.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.675 0.75 . . . . 1.3 111.305 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.428 ' HB3' HD12 ' A' ' 35' ' ' ILE . 5.5 tpt -47.01 -29.74 2.25 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 114.056 -1.429 . . . . 1.29 111.722 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -53.39 -47.74 69.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.371 -0.832 . . . . 2.26 111.455 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.0 m -76.67 -41.94 43.67 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.775 0.321 . . . . 1.2 110.704 -174.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.807 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -58.4 -51.0 71.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.844 -0.616 . . . . 0.38 111.918 -177.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.5 mt -67.02 -39.92 87.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.467 -0.333 . . . . 0.92 110.494 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -62.38 -37.42 85.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.22 -0.445 . . . . 2.19 110.404 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.2 -41.06 86.44 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.926 -0.579 . . . . 0.31 110.764 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.7 HD13 HD11 ' A' ' 8' ' ' ILE . 62.6 tp -64.66 -31.35 72.53 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.081 0.467 . . . . 1.03 110.133 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.45 -53.8 51.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.223 -0.899 . . . . 0.44 110.942 -177.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -64.48 -40.54 95.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 3.41 111.778 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -66.6 -24.34 66.31 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.551 0.575 . . . . 1.52 112.551 -173.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.2 p -111.78 -10.65 14.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.963 0.411 . . . . 0.76 111.176 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 t70 62.12 36.81 14.97 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.346 -0.843 . . . . 2.11 110.254 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.614 HG21 HD11 ' A' ' 49' ' ' LEU . 39.8 p -104.16 173.36 6.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.304 -0.862 . . . . 0.76 110.479 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.563 ' O ' ' HA ' ' A' ' 70' ' ' THR . 34.6 tt0 -108.55 119.41 39.45 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.368 -0.604 . . . . 2.39 109.368 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.471 ' CD2' ' HB ' ' A' ' 71' ' ' VAL . 45.5 mt -107.43 133.93 51.22 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.567 -0.453 . . . . 1.51 110.879 -175.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -112.94 109.88 19.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.708 -0.678 . . . . 2.03 109.247 179.846 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -152.03 144.35 24.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.113 -0.494 . . . . 0.96 110.013 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.2 t -109.84 115.27 55.56 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.301 -0.409 . . . . 1.78 110.387 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.61 -37.26 83.18 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.843 3.028 . . . . 1.37 113.618 -177.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -69.63 -41.33 75.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.994 0.426 . . . . 2.96 110.778 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -81.72 -5.29 57.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.848 -0.615 . . . . 2.22 111.901 -170.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.623 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 35.9 pt -99.55 -8.71 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.799 -0.36 . . . . 1.09 110.88 177.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.66 20.84 68.54 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 121.187 -0.53 . . . . 1.4 113.036 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.543 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 61.92 55.89 25.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.904 -0.665 . . . . 1.05 112.616 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 87.4 mt -66.97 163.9 18.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.771 0.32 . . . . 1.72 110.96 177.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -115.12 138.96 50.31 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.971 -0.751 . . . . 3.77 108.971 169.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.9 p -88.85 156.74 18.75 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.783 -0.644 . . . . 0.56 111.604 -175.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.8 m -89.71 122.11 32.51 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.355 -0.98 . . . . 1.54 108.355 170.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.594 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -56.05 110.77 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.541 0.525 . . . . 0.84 111.67 -173.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -111.66 90.64 3.39 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.722 -0.844 . . . . 1.42 108.722 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -124.78 104.5 8.67 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.624 0.726 . . . . 2.43 110.25 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.99 -165.83 33.99 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.32 -0.854 . . . . 0.37 111.043 -176.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.588 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 14.3 ttt180 -107.09 111.55 24.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 117.056 0.428 . . . . 3.27 110.6 -178.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' HIS . . . . . 0.429 ' HA ' ' OE2' ' A' ' 3' ' ' GLU . 42.2 m-70 -154.64 173.02 16.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.662 -0.244 . . . . 1.98 110.506 176.053 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.462 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 8.8 m-20 -72.78 168.78 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.979 -0.555 . . . . 1.86 110.822 177.228 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.614 HD11 HG21 ' A' ' 26' ' ' THR . 8.8 tt -61.1 -59.69 4.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.433 -0.349 . . . . 1.18 110.178 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -65.24 -30.4 71.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.43 -0.35 . . . . 2.39 111.551 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.462 ' OG ' ' HB2' ' A' ' 48' ' ' ASP . 50.4 m -63.68 -45.25 90.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.691 0.281 . . . . 1.33 110.659 177.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.2 t -59.81 -46.94 87.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 1.21 110.063 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.23 -39.85 80.17 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.846 -0.616 . . . . 0.7 111.161 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -64.22 -46.83 82.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.384 -0.371 . . . . 3.38 111.221 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.7 mt -70.97 -31.34 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.085 0.469 . . . . 1.24 110.737 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 56' ' ' LEU . 5.3 tt -76.41 -33.65 58.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.11 -0.496 . . . . 1.63 109.75 178.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.547 HD22 ' HD1' ' A' ' 64' ' ' TYR . 14.6 tp -64.26 -44.85 90.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 2.17 110.669 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -46.73 109.72 0.22 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.64 -0.709 . . . . 2.3 111.402 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.47 -20.9 17.87 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.918 -0.658 . . . . 1.42 113.095 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.5 p -94.17 -10.85 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 117.213 0.507 . . . . 1.25 112.243 -175.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.46 17.29 39.45 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 121.325 -0.464 . . . . 1.35 113.958 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.7 mt -102.62 176.46 5.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.073 0.436 . . . . 1.28 110.858 -176.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -126.05 133.07 51.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.837 -0.431 . . . . 4.21 109.837 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.547 ' HD1' HD22 ' A' ' 57' ' ' LEU . 45.9 p90 -100.42 118.66 37.09 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.827 -0.749 . . . . 1.37 110.987 178.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -102.48 112.41 25.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.089 -0.959 . . . . 2.64 109.65 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.1 tt -104.61 114.28 43.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.445 0.64 . . . . 1.28 110.368 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -128.4 112.76 14.75 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.539 -0.755 . . . . 2.29 109.939 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.48 -112.17 4.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.995 -0.621 . . . . 1.3 111.802 -176.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -115.42 15.53 16.78 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.642 -0.873 . . . . 2.35 108.642 175.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.563 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 35.0 m -110.38 134.45 52.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.224 -0.898 . . . . 0.97 110.303 -177.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.471 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 18.1 t -119.77 117.48 53.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.17 -0.678 . . . . 0.68 109.17 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 36.4 m -106.8 119.99 40.8 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.282 -0.417 . . . . 0.8 110.343 -175.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 34.5 t -88.9 100.21 10.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.073 -0.714 . . . . 1.01 109.073 177.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.323 -0.574 0 CA-C-O 120.943 0.401 . . . . 1.87 110.484 -172.767 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 109.426 -0.583 . . . . 1.99 109.426 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.479 ' HZ3' ' H ' ' A' ' 49' ' ' LEU . 22.7 m-90 -125.71 145.71 50.06 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.187 0.518 . . . . 1.17 110.62 -175.428 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -95.62 99.14 11.04 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.51 -0.922 . . . . 1.13 108.51 178.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.549 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 68.9 mt -100.7 121.53 41.8 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.562 -0.744 . . . . 0.75 111.349 -170.332 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -92.37 98.06 11.25 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.416 -0.586 . . . . 2.12 109.416 173.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.42 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 47.9 mm -103.81 119.75 53.53 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.242 -0.435 . . . . 0.91 110.281 -178.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.87 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 18.4 Cg_exo -68.97 147.68 68.48 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.201 2.601 . . . . 0.35 113.434 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.595 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -96.85 26.59 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.386 -0.824 . . . . 0.43 109.963 176.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.482 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 82.1 mt-30 -95.77 -156.6 0.53 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.776 -1.102 . . . . 1.61 108.677 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.4 t -51.79 131.43 30.56 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.822 -0.436 . . . . 1.3 109.822 171.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 51.7 ttm -51.61 -26.97 9.9 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.391 -0.822 . . . . 1.29 111.801 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.494 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 8.8 t30 -55.41 -38.94 69.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.415 -0.357 . . . . 2.26 110.558 175.58 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.5 t -71.43 -42.15 68.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.576 -0.527 . . . . 1.2 109.576 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.87 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.46 -41.85 97.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.418 -0.81 . . . . 0.38 111.537 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.79 -40.13 76.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.305 -0.407 . . . . 0.92 111.083 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 14' ' ' ASN . 98.2 mt-30 -59.13 -41.6 88.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.221 0.534 . . . . 2.19 110.228 174.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.38 -42.74 87.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.609 -0.723 . . . . 0.31 110.84 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.35 -47.96 74.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 1.03 110.988 -176.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.49 98.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.798 -0.637 . . . . 0.44 110.269 -175.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.484 ' HB3' ' HE2' ' A' ' 22' ' ' LYS . 31.4 ttpt -60.09 -41.31 92.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.75 -1.114 . . . . 3.41 111.39 178.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.405 HE21 ' HB2' ' A' ' 23' ' ' GLN . 18.9 mt-30 -77.49 -33.51 54.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.01 0.745 . . . . 1.52 113.01 -171.451 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.8 p -111.24 3.01 18.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.729 0.64 . . . . 0.76 112.729 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 56.36 38.27 29.58 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.953 -0.567 . . . . 2.11 111.092 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 p -107.17 158.24 17.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.238 -0.437 . . . . 0.76 111.176 -176.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -97.18 123.91 41.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.123 -0.489 . . . . 2.39 109.903 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.545 HD23 ' HB ' ' A' ' 71' ' ' VAL . 86.8 mt -108.02 116.26 31.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.347 -0.388 . . . . 1.51 110.032 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -103.04 109.8 21.48 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.866 -0.79 . . . . 2.03 108.866 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -156.84 158.88 37.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.821 -0.627 . . . . 0.96 109.936 -177.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 p -103.76 111.57 65.19 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 116.119 -0.491 . . . . 1.78 110.26 175.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.74 -26.92 75.62 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.119 2.546 . . . . 1.37 113.268 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -70.24 -18.18 63.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.664 0.269 . . . . 2.96 111.098 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.27 -10.18 56.8 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.892 0.331 . . . . 2.22 111.892 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.465 HG13 ' H ' ' A' ' 37' ' ' GLY . 37.7 pt -103.69 -28.29 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.63 -0.428 . . . . 1.09 110.598 174.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.97 11.27 50.53 Favored Glycine 0 C--N 1.335 0.488 0 CA-C-N 116.039 -0.528 . . . . 1.4 113.428 174.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.465 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 82.31 47.43 6.08 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.948 -0.644 . . . . 1.05 112.419 -178.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' A' ' 38' ' ' LEU . 2.2 pp -87.81 154.67 20.36 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.75 -0.463 . . . . 1.72 109.75 176.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 25.3 ptt-85 -83.21 126.67 32.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.391 0.615 . . . . 3.77 111.108 -175.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 p -86.34 161.05 18.91 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.448 -0.796 . . . . 0.56 110.45 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.0 m -90.57 114.15 26.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.176 -0.465 . . . . 1.54 109.767 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.595 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -58.15 112.17 1.44 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.862 -0.608 . . . . 0.84 112.068 -175.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.7 tp -109.96 83.31 1.73 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.265 -0.643 . . . . 1.42 109.265 174.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.549 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 1.3 tmtp? -101.36 116.02 31.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.891 -0.595 . . . . 2.43 109.614 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.13 -163.7 35.4 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.531 -0.842 . . . . 0.37 112.392 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -97.48 104.68 16.72 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.67 -0.493 . . . . 3.27 109.67 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -138.29 144.37 40.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.23 -0.441 . . . . 1.98 110.891 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.75 161.71 29.93 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.896 -0.779 . . . . 1.86 108.896 169.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.479 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 43.5 tp -55.55 -51.02 68.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.838 0.29 . . . . 1.18 110.852 -175.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -60.0 -38.47 82.69 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.239 -0.437 . . . . 2.39 111.187 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.4 t -62.75 -51.89 65.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.876 -0.602 . . . . 1.33 110.43 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.6 t -61.79 -49.7 75.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.727 -0.67 . . . . 1.21 111.205 -176.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.01 -38.64 83.25 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.186 0.439 . . . . 0.7 112.186 -174.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 59.4 ttt180 -72.17 -47.59 49.67 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.82 -0.352 . . . . 3.38 110.946 -176.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.9 mm -65.85 -37.1 79.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 1.24 110.976 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.8 tp -71.9 -30.17 65.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.036 -0.529 . . . . 1.63 111.095 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.91 HD22 ' HD1' ' A' ' 64' ' ' TYR . 13.7 tp -70.82 -44.44 66.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 2.17 110.996 -178.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 54' ' ' ARG . 26.9 mt-30 -46.81 106.7 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.57 -0.741 . . . . 2.3 112.148 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.91 -20.65 8.09 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.698 -0.763 . . . . 1.42 113.045 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.0 p -91.76 -7.97 48.14 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.43 0.53 . . . . 1.25 112.43 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.16 17.36 61.28 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.995 -0.621 . . . . 1.35 113.293 -178.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.5 mt -105.78 173.65 6.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.752 0.311 . . . . 1.28 110.616 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -119.47 130.87 55.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.133 -0.485 . . . . 4.21 110.416 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.91 ' HD1' HD22 ' A' ' 57' ' ' LEU . 16.7 p90 -99.89 118.69 36.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.304 0.574 . . . . 1.37 109.923 175.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.541 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -100.17 109.23 21.49 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.002 -0.74 . . . . 2.64 109.002 174.545 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.8 tt -105.88 113.19 42.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.596 0.712 . . . . 1.28 110.476 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -132.57 100.06 4.84 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.572 -0.74 . . . . 2.29 109.917 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.2 -106.27 1.47 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.916 -0.659 . . . . 1.3 112.465 -177.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -111.13 7.97 21.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.456 0.646 . . . . 2.35 109.82 178.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.2 m -105.57 120.39 41.51 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.24 -0.891 . . . . 0.97 110.563 -176.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.545 ' HB ' HD23 ' A' ' 28' ' ' LEU . 47.6 t -116.27 122.86 70.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.543 -0.54 . . . . 0.68 109.543 178.375 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.541 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 6.0 m -115.31 127.56 55.52 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.554 -0.294 . . . . 0.8 110.725 -176.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.0 t -98.67 105.4 17.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.694 -0.484 . . . . 1.01 109.694 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 C--N 1.321 -0.653 0 CA-C-N 115.926 -0.579 . . . . 1.87 110.187 -176.422 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 121.168 0.508 . . . . 1.99 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 22.3 m-90 -136.97 155.21 50.01 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.365 -0.834 . . . . 1.17 109.15 175.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 m -95.93 98.34 10.32 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.475 -0.935 . . . . 1.13 108.475 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.9 mt -95.57 118.47 32.34 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.265 -0.88 . . . . 0.75 111.056 -169.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -94.31 98.16 10.72 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.936 -0.764 . . . . 2.12 108.936 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.467 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 49.5 mm -106.06 128.02 27.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.2 -0.455 . . . . 0.91 110.841 -175.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.649 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 23.9 Cg_exo -66.7 155.33 70.98 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 123.203 2.602 . . . . 0.35 112.694 176.311 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.21 30.09 5.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.66 0.743 . . . . 0.43 109.707 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 89.4 mt-30 -101.15 -162.81 0.97 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.701 -1.136 . . . . 1.61 109.681 -177.19 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.6 m -56.84 142.25 41.69 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.926 0.393 . . . . 1.3 109.992 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.4 mtt -47.37 -26.69 1.37 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.132 -0.94 . . . . 1.29 112.947 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -52.64 -46.81 67.27 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.285 0.365 . . . . 2.26 111.193 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.5 m -79.45 -42.6 25.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 1.2 110.546 -176.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.649 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -60.25 -48.01 83.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.845 -0.616 . . . . 0.38 111.828 -177.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.86 -38.33 82.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.802 0.334 . . . . 0.92 110.669 -178.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -62.02 -42.92 99.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.048 0.451 . . . . 2.19 110.588 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.86 -41.22 87.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.874 -0.603 . . . . 0.31 111.055 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.1 tp -65.86 -40.04 91.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.908 0.385 . . . . 1.03 110.934 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.14 -54.79 32.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.561 -0.745 . . . . 0.44 110.832 -175.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -66.54 -21.08 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.616 -0.72 . . . . 3.41 112.087 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -81.16 -24.7 37.39 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.684 0.253 . . . . 1.52 111.684 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.6 p -117.77 3.66 12.27 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.714 -0.394 . . . . 0.76 111.884 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 58.15 33.8 23.52 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.075 -0.511 . . . . 2.11 111.021 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.457 HG21 HD11 ' A' ' 49' ' ' LEU . 32.6 p -104.75 162.4 13.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.22 -0.445 . . . . 0.76 110.955 -176.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -105.66 116.45 31.96 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.574 -0.528 . . . . 2.39 109.574 175.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.511 HD23 ' HB ' ' A' ' 71' ' ' VAL . 74.9 mt -105.59 114.75 29.1 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.519 -0.548 . . . . 1.51 109.519 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.9 tp -103.74 115.15 29.95 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.993 -0.549 . . . . 2.03 109.527 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -136.2 170.93 15.23 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.663 -0.699 . . . . 0.96 109.681 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.1 m -130.86 134.41 25.96 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 110.106 -0.331 . . . . 1.78 110.106 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -48.93 -52.41 8.75 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.008 2.472 . . . . 1.37 112.747 -174.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.589 ' CD ' ' H ' ' A' ' 33' ' ' GLU . 1.2 pm0 -71.2 -9.67 58.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.025 -0.534 . . . . 2.96 112.161 -178.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.51 -8.88 33.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 2.22 110.401 -178.013 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.7 pt -119.9 -29.27 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 1.09 110.737 178.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.81 -1.5 53.47 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.21 -0.519 . . . . 1.4 113.075 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.23 40.77 92.3 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.05 -0.595 . . . . 1.05 112.203 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 pp -91.29 162.94 14.41 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.287 -0.264 . . . . 1.72 110.287 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 9.3 ptp85 -75.69 120.76 21.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.45 0.643 . . . . 3.77 110.123 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 p -84.85 165.8 17.41 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.488 -0.778 . . . . 0.56 111.614 -174.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.5 m -86.49 95.14 9.61 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.0 -0.741 . . . . 1.54 109.0 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.26 127.27 28.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.581 -0.736 . . . . 0.84 111.696 -173.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 43' ' ' LEU . 1.2 tm? -102.91 84.79 2.43 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.112 -1.07 . . . . 1.42 108.112 175.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -99.33 94.65 6.57 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.883 -1.053 . . . . 2.43 109.899 -174.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.83 -163.7 36.23 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.48 -0.867 . . . . 0.37 112.286 -178.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 15.1 ttt180 -110.97 113.64 26.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.022 -0.362 . . . . 3.27 110.022 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -151.42 168.39 25.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.006 0.431 . . . . 1.98 111.558 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.98 152.79 44.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.971 -1.013 . . . . 1.86 110.604 175.496 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.457 HD11 HG21 ' A' ' 26' ' ' THR . 4.3 tt -57.75 -60.49 3.62 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.55 0.214 . . . . 1.18 111.009 -173.163 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -59.82 -37.5 79.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.946 0.403 . . . . 2.39 110.699 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.6 m -61.32 -47.79 84.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.731 -0.668 . . . . 1.33 110.979 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.4 p -62.1 -39.09 91.33 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.761 0.315 . . . . 1.21 111.071 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.94 -45.81 87.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.216 -0.447 . . . . 0.7 111.307 -178.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.31 -37.07 84.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.656 -0.247 . . . . 3.38 111.427 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.3 mm -70.15 -32.83 52.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.966 0.412 . . . . 1.24 110.413 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -73.12 -48.07 38.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 1.63 110.191 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.9 mt -96.97 22.78 7.94 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.381 -0.372 . . . . 2.17 111.319 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -51.79 94.34 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.641 -0.709 . . . . 2.3 112.358 176.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.42 42.04 57.16 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 121.102 -0.57 . . . . 1.42 113.355 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.1 p -88.75 2.47 53.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.056 0.391 . . . . 1.25 112.056 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.72 10.72 58.85 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 121.09 -0.576 . . . . 1.35 113.036 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.6 mt -110.37 165.46 11.76 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.783 -0.451 . . . . 1.28 109.783 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -111.36 124.23 51.82 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.677 0.275 . . . . 4.21 110.47 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.472 ' HA ' ' O ' ' A' ' 72' ' ' THR . 44.2 p90 -102.4 148.11 25.89 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.744 -0.465 . . . . 1.37 109.744 173.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 73.5 mt-30 -131.08 105.67 7.86 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.322 -0.621 . . . . 2.64 109.322 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.5 tt -111.55 113.82 45.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.372 0.606 . . . . 1.28 111.058 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -156.95 133.85 10.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.607 -0.724 . . . . 2.29 109.92 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.13 -122.17 23.08 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.087 -0.805 . . . . 1.3 111.087 -176.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -109.93 17.25 21.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.942 0.401 . . . . 2.35 109.978 175.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m -111.01 124.19 51.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.882 -0.599 . . . . 0.97 111.403 -176.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.511 ' HB ' HD23 ' A' ' 28' ' ' LEU . 40.6 t -126.32 108.58 19.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.952 -0.758 . . . . 0.68 108.952 172.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.472 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 55.3 m -107.51 129.88 54.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.48 -0.327 . . . . 0.8 111.069 -175.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.3 t -113.56 105.35 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.137 -0.483 . . . . 1.01 109.96 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 116.009 -0.542 . . . . 1.87 110.437 -178.213 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.829 0.347 . . . . 1.99 110.149 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.409 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 23.3 m-90 -127.73 150.62 49.71 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.06 -0.518 . . . . 1.17 110.276 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.6 m -96.35 97.9 9.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.81 -0.811 . . . . 1.13 108.81 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.1 mt -97.06 122.31 39.92 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.42 -0.809 . . . . 0.75 110.358 -172.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.84 101.69 14.27 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.268 -0.642 . . . . 2.12 109.268 172.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.635 ' H ' ' HB3' ' A' ' 44' ' ' LYS . 40.5 mm -109.75 125.69 30.7 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.142 -0.481 . . . . 0.91 111.075 -175.221 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.694 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 19.9 Cg_exo -68.3 165.59 28.24 Favored 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.773 2.982 . . . . 0.35 112.884 178.349 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -117.99 22.47 12.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.43 111.373 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -102.87 -157.42 0.61 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.021 -0.536 . . . . 1.61 109.776 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 m -52.26 139.45 23.97 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 121.194 0.521 . . . . 1.3 111.299 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.424 ' HB2' HD12 ' A' ' 35' ' ' ILE . 19.0 mmt -46.72 -31.63 3.07 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 114.941 -1.027 . . . . 1.29 112.269 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -49.71 -43.12 47.33 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.354 0.409 . . . . 2.26 110.699 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -78.27 -47.75 17.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.299 -0.41 . . . . 1.2 110.316 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.694 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -64.1 -43.47 95.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.38 111.793 -174.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.05 -48.56 67.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.09 -0.504 . . . . 0.92 110.577 -177.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -61.99 -32.75 73.24 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.878 0.371 . . . . 2.19 110.82 177.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.498 ' O ' ' HB2' ' A' ' 23' ' ' GLN . . . -66.88 -43.71 82.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.31 110.799 177.011 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.2 -37.45 80.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.997 0.427 . . . . 1.03 110.284 -178.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.28 -63.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.269 -0.878 . . . . 0.44 110.682 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -64.81 -21.3 66.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.309 -0.405 . . . . 3.41 112.044 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -65.79 -31.81 72.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.9 0.381 . . . . 1.52 110.628 177.823 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -118.05 10.3 13.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.154 -0.476 . . . . 0.76 110.975 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.9 t70 53.06 41.97 32.19 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.223 -0.898 . . . . 2.11 110.766 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -105.05 -177.72 3.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.788 -0.642 . . . . 0.76 111.219 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -125.03 130.02 51.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.871 -0.604 . . . . 2.39 109.727 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.564 HD22 ' HB ' ' A' ' 71' ' ' VAL . 41.3 mt -117.47 127.98 54.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.872 0.368 . . . . 1.51 110.18 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.5 112.8 25.12 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.786 -0.82 . . . . 2.03 108.786 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -153.07 152.17 31.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.233 -0.439 . . . . 0.96 110.23 -176.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.1 m -106.06 113.49 63.54 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.562 -0.533 . . . . 1.78 109.562 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.99 -34.12 75.64 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.463 2.775 . . . . 1.37 113.418 -176.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.55 -26.43 57.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.059 0.457 . . . . 2.96 111.115 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -92.8 -12.48 31.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.061 -0.518 . . . . 2.22 110.848 -172.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.554 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 19.8 pt -95.66 5.92 8.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 1.09 109.705 177.152 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.43 16.47 43.56 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.324 -0.853 . . . . 1.4 114.095 173.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.69 42.75 78.72 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.911 -0.662 . . . . 1.05 111.986 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 92.6 mt -76.83 149.43 36.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.424 -0.213 . . . . 1.72 110.424 -176.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.685 ' H ' ' HD2' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -84.49 144.47 28.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.994 0.426 . . . . 3.77 109.89 175.84 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 p -85.27 156.1 21.09 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.669 -0.696 . . . . 0.56 110.593 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.8 t -86.65 125.85 34.13 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.232 -1.025 . . . . 1.54 108.232 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -56.85 96.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.71 0.631 . . . . 0.84 111.255 -176.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.4 tp -117.6 81.81 1.72 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.858 -0.793 . . . . 1.42 108.858 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.635 ' HB3' ' H ' ' A' ' 8' ' ' ILE . 25.0 pttm -119.51 120.12 35.84 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 121.424 0.63 . . . . 2.43 109.831 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.38 -162.31 33.4 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.076 -0.965 . . . . 0.37 111.411 -174.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 54.8 ttt180 -97.03 106.1 18.38 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.975 -0.38 . . . . 3.27 109.975 -177.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -141.08 160.78 39.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.372 -0.377 . . . . 1.98 110.507 -175.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -86.83 166.41 15.22 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.544 -0.539 . . . . 1.86 109.544 172.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.4 tp -57.88 -55.2 38.03 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.302 0.376 . . . . 1.18 111.765 -173.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.465 ' HA ' ' OE1' ' A' ' 50' ' ' GLN . 14.0 mm-40 -60.16 -45.91 91.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 2.39 111.569 -175.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.0 t -60.47 -41.97 95.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.442 -0.344 . . . . 1.33 110.549 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 m -62.07 -48.23 81.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.284 -0.417 . . . . 1.21 110.909 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.6 -45.96 87.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.154 0.502 . . . . 0.7 110.665 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 25.2 ttt180 -61.98 -48.51 80.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.387 -0.824 . . . . 3.38 111.353 -177.246 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.0 mt -72.34 -35.58 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.969 0.359 . . . . 1.24 111.969 -176.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.0 tt -66.89 -47.17 72.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 1.63 110.802 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.693 ' HG ' ' HB3' ' A' ' 64' ' ' TYR . 3.9 mm? -79.07 -24.19 43.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.59 0.233 . . . . 2.17 111.149 -179.185 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.468 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 60.7 tt0 -52.42 109.4 0.39 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.224 -0.444 . . . . 2.3 111.243 175.072 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.29 63.41 1.19 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.619 -0.8 . . . . 1.42 112.132 178.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.6 p -144.57 -36.25 0.32 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.012 0.434 . . . . 1.25 110.993 -176.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.25 7.79 51.43 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.218 -0.753 . . . . 1.35 111.218 -172.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.7 mt -117.43 160.68 20.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.726 0.298 . . . . 1.28 110.361 -177.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -114.37 126.69 55.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 4.21 109.963 178.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.693 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 40.3 p90 -100.54 145.57 28.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.246 -0.434 . . . . 1.37 110.727 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -133.3 126.95 32.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.766 -0.652 . . . . 2.64 109.757 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.2 tt -103.01 123.43 56.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.442 0.639 . . . . 1.28 111.076 178.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -127.56 91.55 3.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.504 -0.771 . . . . 2.29 110.115 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.45 -99.55 0.4 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.26 -0.495 . . . . 1.3 112.524 -178.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -118.22 9.46 12.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.343 0.592 . . . . 2.35 109.935 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 m -111.91 138.24 48.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.559 -0.746 . . . . 0.97 109.672 177.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.564 ' HB ' HD22 ' A' ' 28' ' ' LEU . 22.9 t -126.02 135.36 64.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.583 -0.525 . . . . 0.68 109.583 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.0 m -112.13 130.88 55.75 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.654 -0.248 . . . . 0.8 110.54 -177.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.4 t -117.75 110.82 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.445 -0.343 . . . . 1.01 110.243 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 115.966 -0.561 . . . . 1.87 110.151 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.672 0.272 . . . . 3.75 111.344 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -81.11 62.1 4.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.429 0.633 . . . . 3.34 110.17 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -131.18 166.44 21.12 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.329 -0.851 . . . . 1.99 108.792 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.535 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 29.7 m-90 -133.37 160.88 36.05 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 110.288 -0.264 . . . . 1.17 110.288 -172.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 t -96.17 99.92 11.61 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.387 -0.968 . . . . 1.13 108.387 173.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.9 mt -86.24 153.38 22.05 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.37 -0.832 . . . . 0.75 111.819 -170.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -130.55 98.27 4.62 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.949 -1.13 . . . . 2.12 107.949 172.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.426 HD11 HD13 ' A' ' 20' ' ' LEU . 47.2 mm -117.72 125.92 27.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.015 -0.538 . . . . 0.91 110.968 -172.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.719 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 26.1 Cg_exo -64.55 153.34 77.79 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.95 2.433 . . . . 0.35 112.453 175.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -109.97 20.89 17.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.852 0.834 . . . . 0.43 109.779 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.411 ' HG2' ' H ' ' A' ' 11' ' ' GLN . 2.6 pt20 -96.71 -150.02 0.33 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.566 -1.197 . . . . 1.61 109.246 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -53.27 131.33 37.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.813 0.816 . . . . 1.3 111.388 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.515 ' HB3' HD12 ' A' ' 35' ' ' ILE . 50.2 tpp -49.91 -34.41 20.28 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 114.294 -1.321 . . . . 1.29 112.57 -176.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -57.2 -33.06 67.11 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.393 -0.367 . . . . 2.26 111.18 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.5 m -78.1 -44.96 24.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.913 -0.585 . . . . 1.2 110.626 -178.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.719 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -60.54 -46.46 90.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.97 -0.559 . . . . 0.38 111.542 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.64 -43.4 89.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 0.92 110.992 -178.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.54 -37.39 86.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.931 0.396 . . . . 2.19 111.063 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.48 -40.42 93.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.125 -0.489 . . . . 0.31 110.405 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.426 HD13 HD11 ' A' ' 8' ' ' ILE . 60.3 tp -65.87 -34.67 78.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.0 -0.545 . . . . 1.03 110.16 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.55 -57.01 14.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.137 -0.938 . . . . 0.44 110.628 -175.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -63.1 -36.63 84.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.353 -0.84 . . . . 3.41 111.354 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -80.3 -18.52 49.03 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.887 0.699 . . . . 1.52 112.887 -171.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.8 p -120.32 9.34 10.99 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.635 -0.426 . . . . 0.76 111.992 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 60.73 47.32 8.14 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.013 -0.54 . . . . 2.11 111.017 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p -128.54 154.66 45.93 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.003 0.43 . . . . 0.76 111.44 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -103.46 120.18 40.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.901 -0.591 . . . . 2.39 109.53 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.573 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 9.8 mp -112.94 125.78 54.76 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.923 -0.399 . . . . 1.51 109.923 -176.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -106.47 120.76 42.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.917 -0.583 . . . . 2.03 110.211 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -156.53 157.67 35.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.339 -0.846 . . . . 0.96 109.731 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.411 ' OG ' ' HG2' ' A' ' 33' ' ' GLU . 38.1 t -102.72 114.09 65.51 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-O 120.827 0.346 . . . . 1.78 110.313 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.87 -30.14 77.07 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.0 2.466 . . . . 1.37 112.608 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.411 ' HG2' ' OG ' ' A' ' 31' ' ' SER . 13.6 pt-20 -76.89 -32.04 57.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.094 -0.503 . . . . 2.96 111.069 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.411 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 28.8 t70 -84.79 -8.02 58.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.963 -0.562 . . . . 2.22 111.733 -171.298 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.515 HD12 ' HB3' ' A' ' 13' ' ' MET . 24.6 pt -96.89 -1.03 10.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.911 -0.316 . . . . 1.09 111.116 -178.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.73 17.19 33.69 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 116.067 -0.515 . . . . 1.4 114.304 173.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.05 40.38 93.13 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.804 -0.712 . . . . 1.05 112.569 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.9 mt -74.22 144.65 44.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.27 -0.27 . . . . 1.72 110.27 178.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 13.5 ptm180 -79.21 135.8 36.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.054 0.454 . . . . 3.77 110.238 176.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 p -83.96 156.47 22.3 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.731 -0.668 . . . . 0.56 111.758 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 t -87.93 95.83 10.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.8 -0.815 . . . . 1.54 108.8 176.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -58.04 115.44 2.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.44 -0.8 . . . . 0.84 111.932 -174.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.4 tp -114.25 83.59 1.9 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.455 -0.572 . . . . 1.42 109.455 174.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -102.09 103.61 14.19 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.515 0.674 . . . . 2.43 109.996 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.52 -162.98 31.86 Favored Glycine 0 N--CA 1.44 -1.045 0 N-CA-C 110.387 -1.085 . . . . 0.37 110.387 -174.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.535 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 34.0 ttm105 -98.74 111.86 24.11 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 117.139 0.47 . . . . 3.27 110.739 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -155.6 161.68 40.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.593 -0.73 . . . . 1.98 110.689 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.56 157.02 27.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.359 -0.837 . . . . 1.86 110.763 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 1.1 tm? -57.25 -58.28 8.91 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.116 0.166 . . . . 1.18 111.124 -173.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -59.2 -41.53 88.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.044 0.45 . . . . 2.39 110.983 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.7 m -63.09 -45.57 91.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.698 -0.683 . . . . 1.33 111.003 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.9 m -61.98 -42.74 99.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.341 -0.391 . . . . 1.21 110.823 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 95.9 mt -57.38 -46.11 83.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.128 -0.487 . . . . 0.7 110.219 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -61.48 -45.21 95.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.714 -0.675 . . . . 3.38 111.271 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.2 mt -67.77 -42.5 86.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.855 0.36 . . . . 1.24 111.468 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.11 -41.56 67.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.305 -0.407 . . . . 1.63 110.833 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 62' ' ' LEU . 3.0 tm? -72.13 -44.59 62.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.034 -0.53 . . . . 2.17 110.805 -175.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -46.53 112.64 0.52 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.574 0.546 . . . . 2.3 111.613 -177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.59 -13.66 5.61 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.585 -0.734 . . . . 1.42 111.947 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.2 p -107.03 3.0 25.48 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.091 0.404 . . . . 1.25 112.091 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.12 25.22 53.58 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 114.16 0.424 . . . . 1.35 114.16 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.487 ' HB2' HD11 ' A' ' 57' ' ' LEU . 80.8 mt -100.46 169.33 9.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.403 -0.469 . . . . 1.28 110.434 -178.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.501 ' HD3' ' HB2' ' A' ' 76' ' ' SER . 10.6 mpt_? -121.75 126.29 48.55 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.96 -0.385 . . . . 4.21 109.96 177.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -100.51 125.46 46.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.108 0.48 . . . . 1.37 110.851 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.436 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 48.1 mt-30 -101.54 110.36 22.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.903 -0.589 . . . . 2.64 109.81 175.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.41 HD12 HD12 ' A' ' 49' ' ' LEU . 7.7 tt -104.78 114.8 45.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.277 0.561 . . . . 1.28 110.451 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -135.62 101.25 4.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.881 -0.599 . . . . 2.29 110.346 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.06 -105.09 0.77 Allowed Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 121.045 -0.597 . . . . 1.3 112.959 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -106.93 7.78 30.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.922 0.391 . . . . 2.35 110.26 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 m -109.2 125.96 52.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.939 0.4 . . . . 0.97 111.038 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.573 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 58.7 t -122.16 111.59 31.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.397 -0.594 . . . . 0.68 109.397 175.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.436 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 19.1 m -110.38 112.52 24.51 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.891 0.377 . . . . 0.8 110.542 -176.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.3 t -93.38 104.64 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.843 -0.429 . . . . 1.01 109.843 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -113.06 155.7 24.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.237 -0.438 . . . . 1.87 110.334 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.91 108.24 19.64 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.321 -0.4 . . . . 1.72 110.229 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.501 ' HB2' ' HD3' ' A' ' 63' ' ' ARG . 18.4 m -102.26 103.55 14.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.388 -0.369 . . . . 2.81 110.342 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.14 52.6 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.142 0.496 . . . . 4.62 111.109 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -141.36 122.91 15.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.173 -0.467 . . . . 5.99 110.568 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.05 61.5 2.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.216 0.532 . . . . 7.46 110.412 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -158.03 82.32 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.457 -0.792 . . . . 10.73 109.145 -177.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -88.25 145.16 26.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.958 0.409 . . . . 11.5 111.058 -176.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.861 -0.966 . . . . 12.03 111.412 179.827 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.601 -0.148 . . . . 3.75 110.601 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 57.93 78.66 0.23 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.611 0.72 . . . . 3.34 109.663 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.686 ' OE2' ' HA ' ' A' ' 47' ' ' HIS . 48.1 mt-10 -129.8 178.36 6.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.343 -0.844 . . . . 1.99 110.83 -169.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.484 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 22.3 m-90 -134.53 164.59 27.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.92 -0.582 . . . . 1.17 110.084 -175.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.4 m -91.17 98.54 11.8 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.684 -0.858 . . . . 1.13 108.684 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.3 mt -107.79 152.01 24.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.017 -0.538 . . . . 0.75 111.238 -172.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -133.0 106.11 7.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.732 -0.667 . . . . 2.12 109.745 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.445 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 1.8 mp -105.87 120.47 48.97 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.349 -0.387 . . . . 0.91 110.518 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.71 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 32.0 Cg_exo -62.28 149.28 91.25 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.434 2.756 . . . . 0.35 113.095 178.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -96.95 30.2 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.685 0.755 . . . . 0.43 109.591 175.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -98.15 -151.13 0.37 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.56 -1.2 . . . . 1.61 108.887 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -56.92 138.68 53.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.679 -0.489 . . . . 1.3 109.679 173.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.452 ' HB3' HD12 ' A' ' 35' ' ' ILE . 55.7 tpp -51.73 -26.23 9.0 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.779 -0.646 . . . . 1.29 110.727 176.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -55.37 -40.63 71.56 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.285 -0.871 . . . . 2.26 110.907 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.0 m -74.18 -42.22 60.21 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.944 0.402 . . . . 1.2 110.453 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.71 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -59.84 -47.41 85.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.838 -0.619 . . . . 0.38 111.797 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.31 -41.12 85.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.435 -0.348 . . . . 0.92 110.893 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.36 -38.86 92.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 2.19 110.429 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.64 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.31 111.022 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.2 tp -66.28 -34.93 79.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.061 0.458 . . . . 1.03 110.124 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.572 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -61.04 -54.12 48.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.036 -0.984 . . . . 0.44 110.587 -177.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -64.07 -42.47 96.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.673 -0.694 . . . . 3.41 110.947 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -62.69 -34.38 77.01 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.919 0.711 . . . . 1.52 112.919 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.3 p -113.17 3.1 15.88 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.785 -0.366 . . . . 0.76 111.75 -175.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 56.7 49.01 15.21 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.351 -0.84 . . . . 2.11 110.229 -176.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.3 p -113.65 160.64 18.38 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.349 -0.842 . . . . 0.76 110.036 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -102.54 122.65 44.78 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.567 -0.531 . . . . 2.39 109.567 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.572 HD23 ' HB2' ' A' ' 21' ' ' ALA . 2.1 mm? -101.78 122.91 44.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.466 -0.334 . . . . 1.51 110.32 -177.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.84 100.11 9.64 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.914 -0.773 . . . . 2.03 108.914 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.444 ' CD1' ' HB3' ' A' ' 28' ' ' LEU . 37.7 p90 -156.77 160.61 39.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.914 -0.584 . . . . 0.96 110.156 -175.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.438 ' O ' HG12 ' A' ' 35' ' ' ILE . 77.7 p -136.46 142.41 39.3 Favored Pre-proline 0 C--N 1.316 -0.856 0 N-CA-C 109.365 -0.606 . . . . 1.78 109.365 175.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.94 -20.2 43.53 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.747 2.298 . . . . 1.37 111.103 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -66.65 -49.19 67.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.458 -0.792 . . . . 2.96 110.691 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -73.78 -33.23 64.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.93 -0.577 . . . . 2.22 110.925 -173.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.52 HG13 ' H ' ' A' ' 37' ' ' GLY . 31.1 pt -94.74 -3.38 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.441 -0.345 . . . . 1.09 111.608 -175.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.41 8.92 40.67 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 121.448 -0.406 . . . . 1.4 113.687 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.52 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 63.23 43.35 98.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.199 -0.524 . . . . 1.05 112.73 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 pp -87.69 159.54 18.47 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.035 -0.357 . . . . 1.72 110.035 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -82.48 141.99 32.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.184 0.516 . . . . 3.77 111.249 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 p -90.67 158.04 17.13 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.386 -0.825 . . . . 0.56 110.627 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.4 m -89.56 125.29 35.16 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.559 -0.534 . . . . 1.54 109.559 173.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.548 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -57.5 106.09 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 O-C-N 123.752 0.658 . . . . 0.84 111.489 -175.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -112.95 84.26 1.96 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.443 -0.947 . . . . 1.42 108.443 178.107 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -121.27 124.94 45.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.315 0.578 . . . . 2.43 110.487 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.59 -161.77 33.33 Favored Glycine 0 N--CA 1.441 -0.975 0 N-CA-C 110.677 -0.969 . . . . 0.37 110.677 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 58.7 mtm180 -97.11 95.73 7.97 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.84 -0.43 . . . . 3.27 109.84 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.686 ' HA ' ' OE2' ' A' ' 3' ' ' GLU . 6.9 m-70 -145.51 159.32 43.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.509 . . . . 1.98 111.017 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -85.79 175.85 8.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.674 -0.694 . . . . 1.86 110.807 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.74 -54.82 42.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 1.18 111.625 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -61.01 -45.1 96.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.445 -0.343 . . . . 2.39 111.733 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.8 m -60.26 -43.93 95.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.756 0.312 . . . . 1.33 110.837 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.6 m -60.92 -47.72 85.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.418 -0.355 . . . . 1.21 110.639 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.11 -42.82 99.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.25 -0.432 . . . . 0.7 111.224 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -48.85 77.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.923 -0.581 . . . . 3.38 110.566 -176.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.0 mt -72.96 -33.57 43.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.541 -0.299 . . . . 1.24 110.972 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.1 tp -67.08 -41.01 87.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.63 0.253 . . . . 1.63 111.044 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.409 HD12 ' CD1' ' A' ' 64' ' ' TYR . 79.1 mt -101.8 14.32 32.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 2.17 111.104 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -53.83 92.5 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.446 -0.797 . . . . 2.3 111.632 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.13 30.9 77.76 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.276 -0.488 . . . . 1.42 113.162 176.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.9 p -89.97 0.87 56.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.056 0.455 . . . . 1.25 111.608 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.4 -5.44 84.49 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.947 -0.644 . . . . 1.35 112.125 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 75' ' ' ALA . 67.6 mt -97.09 149.73 21.63 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.456 -0.572 . . . . 1.28 109.456 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -122.68 157.2 32.77 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.406 -0.961 . . . . 4.21 108.406 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.504 ' HA ' ' O ' ' A' ' 72' ' ' THR . 51.5 p90 -141.41 127.97 20.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.466 0.651 . . . . 1.37 111.84 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -107.53 123.09 47.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.339 -0.846 . . . . 2.64 108.891 168.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.6 tt -102.87 98.53 6.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.893 0.854 . . . . 1.28 110.502 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -100.63 115.14 29.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.513 -0.767 . . . . 2.29 109.919 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.99 -111.59 4.32 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.885 -0.598 . . . . 1.3 112.076 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -112.0 12.67 20.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.188 0.518 . . . . 2.35 109.88 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.3 m -113.31 131.64 55.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.757 -0.656 . . . . 0.97 110.915 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.485 ' HB ' HD13 ' A' ' 28' ' ' LEU . 43.8 t -111.04 117.8 55.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.604 -0.726 . . . . 0.68 109.221 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 7.5 m -103.05 106.7 17.27 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.842 0.353 . . . . 0.8 110.572 -174.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.3 t -91.15 113.04 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.95 -0.568 . . . . 1.01 109.638 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.8 m -140.54 122.32 15.38 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.851 -0.613 . . . . 1.87 111.269 -175.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' A' ' 62' ' ' LEU . . . -61.1 132.35 53.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.877 0.37 . . . . 1.72 110.651 176.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.5 m -150.52 83.11 1.36 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.078 0.466 . . . . 2.81 110.792 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.97 107.62 6.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.848 -0.614 . . . . 4.62 110.349 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -164.15 179.43 6.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.154 -0.476 . . . . 5.99 110.045 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 59.85 50.36 6.99 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.7 0.625 . . . . 7.46 111.775 176.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -100.32 144.53 29.22 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.758 -0.46 . . . . 10.73 109.758 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 65.43 51.73 1.5 Allowed 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.661 0.601 . . . . 11.5 110.647 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.291 0 CA-C-O 118.625 -1.097 . . . . 12.03 111.772 178.876 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 120.847 0.356 . . . . 3.75 110.508 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -134.19 80.98 1.89 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.001 -0.545 . . . . 3.34 109.866 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.66 175.97 5.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.1 0.476 . . . . 1.99 111.14 -176.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 28.6 m-90 -133.22 157.56 45.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.619 -0.718 . . . . 1.17 109.309 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 5' ' ' THR . 8.0 t -94.42 103.91 15.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.954 0.883 . . . . 1.13 108.908 174.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -96.06 155.78 16.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.226 -0.897 . . . . 0.75 112.056 -169.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -140.25 107.73 5.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.103 -0.953 . . . . 2.12 108.87 172.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.75 HD11 HD13 ' A' ' 20' ' ' LEU . 79.2 mt -121.01 124.63 27.34 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 115.723 -0.671 . . . . 0.91 110.358 -174.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.886 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 50.1 Cg_exo -56.72 162.8 8.01 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.564 2.842 . . . . 0.35 113.559 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -117.9 25.82 10.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.951 0.881 . . . . 0.43 109.286 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 10.8 pt20 -104.61 -149.11 0.41 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 113.839 -1.528 . . . . 1.61 109.391 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.7 p -55.76 128.67 35.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.679 0.752 . . . . 1.3 110.865 175.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.457 ' HB3' HD12 ' A' ' 35' ' ' ILE . 48.9 ttm -52.15 -29.94 24.36 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 114.558 -1.201 . . . . 1.29 112.995 -174.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -58.18 -37.96 75.76 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.5 0.185 . . . . 2.26 111.5 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.6 m -75.55 -39.12 58.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.433 0.635 . . . . 1.2 109.777 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.886 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.86 -43.81 98.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.231 -0.895 . . . . 0.38 111.765 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.514 ' O ' HD12 ' A' ' 28' ' ' LEU . 96.5 mt -65.14 -39.03 92.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.168 -0.469 . . . . 0.92 110.856 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.56 -37.72 88.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.037 0.446 . . . . 2.19 110.453 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.58 81.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.121 -0.49 . . . . 0.31 110.928 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.75 HD13 HD11 ' A' ' 8' ' ' ILE . 63.8 tp -65.46 -36.49 84.06 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.135 0.493 . . . . 1.03 109.875 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.99 -55.05 29.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.221 -0.9 . . . . 0.44 110.376 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -64.76 -34.19 77.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.635 -0.711 . . . . 3.41 111.385 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -65.91 -26.74 67.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.434 -0.348 . . . . 1.52 111.769 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.1 p -115.32 1.64 13.8 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.756 0.28 . . . . 0.76 111.756 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 58.98 39.34 23.68 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.736 -0.666 . . . . 2.11 110.745 -177.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.7 p -112.06 166.31 11.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.953 -0.567 . . . . 0.76 110.896 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -103.77 119.5 39.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.215 -0.448 . . . . 2.39 110.132 176.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.524 HD23 ' HB ' ' A' ' 71' ' ' VAL . 73.7 mt -112.18 115.19 28.42 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.023 -0.732 . . . . 1.51 109.023 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.7 mt -102.48 121.85 43.16 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.922 -0.581 . . . . 2.03 110.284 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -157.68 155.4 29.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.004 0.43 . . . . 0.96 110.91 -175.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.435 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 35.0 t -104.05 122.54 43.95 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 1.78 109.672 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -59.95 -36.75 89.1 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.548 2.832 . . . . 1.37 113.568 -173.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -75.11 -27.44 59.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.228 0.537 . . . . 2.96 110.773 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.435 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 7.0 m-20 -87.58 -1.02 57.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.91 -0.586 . . . . 2.22 111.749 -170.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 13' ' ' MET . 30.4 pt -101.62 8.2 9.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.106 0.479 . . . . 1.09 110.043 174.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.76 6.09 34.74 Favored Glycine 0 C--N 1.336 0.566 0 CA-C-N 115.328 -0.851 . . . . 1.4 114.387 171.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.18 38.22 96.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.586 -0.816 . . . . 1.05 111.533 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.3 mt -83.56 157.93 22.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.665 -0.267 . . . . 1.72 110.296 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 33.6 ptt180 -79.41 143.89 34.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.169 0.509 . . . . 3.77 109.902 173.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.7 p -87.94 156.21 19.46 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.568 -0.742 . . . . 0.56 111.308 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.5 m -88.98 100.57 13.31 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.89 -0.781 . . . . 1.54 108.89 173.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -56.92 112.4 1.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.344 -0.844 . . . . 0.84 111.622 -174.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.0 tp -115.06 91.61 3.67 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.289 0.566 . . . . 1.42 109.628 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -114.62 110.76 20.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.777 -0.647 . . . . 2.43 110.382 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.24 -162.07 33.21 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.043 -0.98 . . . . 0.37 111.247 -174.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -98.13 95.66 7.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.92 0.39 . . . . 3.27 109.992 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -140.05 159.92 41.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.207 -0.451 . . . . 1.98 110.778 -178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -90.5 169.24 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.718 -0.674 . . . . 1.86 109.633 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 46.6 tp -59.27 -57.76 11.6 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.302 0.376 . . . . 1.18 111.898 -172.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -60.72 -44.26 96.84 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 111.976 0.362 . . . . 2.39 111.976 -174.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.6 m -62.12 -40.59 96.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 1.33 110.87 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -62.56 -40.45 96.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.419 . . . . 1.21 110.741 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 92.2 mt -61.66 -40.41 94.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.892 -0.595 . . . . 0.7 110.306 177.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -61.78 -54.82 37.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.022 -0.535 . . . . 3.38 111.23 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.6 mt -61.89 -36.41 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 1.24 111.539 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 56' ' ' LEU . 5.3 tt -75.09 -37.11 61.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.455 -0.338 . . . . 1.63 110.53 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.6 mt -106.94 25.36 11.43 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.962 0.356 . . . . 2.17 111.962 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -48.82 -66.7 0.36 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.051 0.453 . . . . 2.3 112.125 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.1 41.16 1.62 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.735 -0.745 . . . . 1.42 112.356 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.7 p -90.6 -13.44 34.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.528 0.204 . . . . 1.25 111.312 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.37 6.18 78.28 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.777 -0.725 . . . . 1.35 112.456 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.2 mt -111.96 156.28 22.37 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.068 -0.345 . . . . 1.28 110.068 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -123.19 173.27 8.01 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.977 -0.379 . . . . 4.21 109.977 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -141.2 131.06 24.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.172 0.511 . . . . 1.37 111.44 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -100.36 112.32 24.65 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.833 -0.803 . . . . 2.64 108.833 171.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.3 tt -102.95 121.18 53.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.115 0.483 . . . . 1.28 111.002 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -129.64 95.38 3.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.709 -0.678 . . . . 2.29 109.792 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.88 -100.08 0.47 Allowed Glycine 0 CA--C 1.518 0.28 0 CA-C-N 115.761 -0.654 . . . . 1.3 112.865 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.1 p-10 -118.16 9.56 12.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.409 0.624 . . . . 2.35 110.154 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.1 m -117.17 129.64 56.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.803 -0.635 . . . . 0.97 109.945 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.524 ' HB ' HD23 ' A' ' 28' ' ' LEU . 42.9 t -127.08 132.76 69.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.802 0.334 . . . . 0.68 110.245 -176.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.6 m -113.42 116.51 29.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.39 -0.368 . . . . 0.8 110.541 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.8 t -81.2 116.6 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.032 0.444 . . . . 1.01 109.913 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.3 m -104.26 132.94 49.97 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.967 -0.56 . . . . 1.87 110.317 -176.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.13 151.72 20.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.269 -0.423 . . . . 1.72 110.266 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.6 t -110.65 117.31 33.16 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.803 -0.444 . . . . 2.81 109.803 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.19 -69.68 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.095 -0.502 . . . . 4.62 110.609 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 179.62 -71.86 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.947 -0.57 . . . . 5.99 109.81 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -131.85 48.64 2.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.722 -0.672 . . . . 7.46 110.247 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -119.42 71.99 0.89 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.741 -0.663 . . . . 10.73 109.944 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -86.94 102.22 14.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.208 0.528 . . . . 11.5 109.649 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.311 0 CA-C-O 118.011 -1.438 . . . . 12.03 110.651 -177.512 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.882 0.373 . . . . 3.75 110.323 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -136.27 132.15 35.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.193 -0.458 . . . . 3.34 109.914 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -101.58 160.4 14.48 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.644 -0.502 . . . . 1.99 109.644 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.449 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 27.5 m-90 -126.67 148.21 49.86 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.912 -0.585 . . . . 1.17 109.918 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.9 m -96.74 98.12 9.89 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.052 -1.092 . . . . 1.13 108.052 172.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.16 157.08 18.41 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.409 -0.814 . . . . 0.75 111.759 -170.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -136.62 98.15 3.73 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.331 -0.989 . . . . 2.12 108.331 174.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.417 HG23 ' HB1' ' A' ' 16' ' ' ALA . 47.6 mm -106.99 122.17 42.47 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.812 -0.631 . . . . 0.91 111.147 -171.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.599 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 48.0 Cg_exo -57.41 159.54 15.94 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.338 2.692 . . . . 0.35 112.803 176.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -118.12 26.27 9.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.641 0.734 . . . . 0.43 110.365 -178.335 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -109.51 -144.62 0.39 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.167 -0.924 . . . . 1.61 109.502 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m -52.72 127.05 21.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.174 0.511 . . . . 1.3 110.968 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 52.1 tpp -49.65 -33.75 16.45 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 114.862 -1.063 . . . . 1.29 111.952 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -56.98 -33.48 67.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 2.26 111.948 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 m -79.35 -46.08 18.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.186 0.517 . . . . 1.2 110.007 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.599 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -63.91 -43.32 96.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.496 -0.774 . . . . 0.38 111.793 -176.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.8 mt -65.95 -42.98 89.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.615 -0.266 . . . . 0.92 110.909 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 22' ' ' LYS . 61.7 tt0 -62.9 -36.87 84.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.816 0.341 . . . . 2.19 110.32 178.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -64.57 -42.56 95.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.31 110.572 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.2 tp -65.68 -35.01 79.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.108 -0.496 . . . . 1.03 110.216 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.09 -45.43 93.56 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.234 -0.894 . . . . 0.44 110.277 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 73.1 mmtt -63.17 -48.63 77.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.659 -0.7 . . . . 3.41 110.713 178.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 86.7 mt-30 -60.02 -32.34 70.8 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.622 -0.717 . . . . 1.52 112.227 -173.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.546 HG21 HD13 ' A' ' 49' ' ' LEU . 25.6 p -110.86 -3.29 15.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.063 0.459 . . . . 0.76 111.471 -176.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t70 57.8 41.32 25.15 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.198 -0.91 . . . . 2.11 110.499 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 p -106.76 175.16 5.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.691 -0.686 . . . . 0.76 111.203 -177.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -109.01 112.49 24.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.94 -0.573 . . . . 2.39 110.25 175.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.8 mt -108.91 113.67 26.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.079 -0.51 . . . . 1.51 109.746 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 29' ' ' LEU . 3.8 mm? -105.78 118.94 37.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.1 -0.5 . . . . 2.03 109.953 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -147.95 153.74 39.43 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.705 -0.68 . . . . 0.96 109.462 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.631 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 26.6 t -98.19 104.81 24.8 Favored Pre-proline 0 C--N 1.317 -0.833 0 N-CA-C 109.756 -0.461 . . . . 1.78 109.756 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -57.32 -30.39 87.5 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.937 2.425 . . . . 1.37 112.054 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.62 -37.32 73.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.83 -0.623 . . . . 2.96 110.414 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.631 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 4.0 m-20 -86.06 -1.43 57.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.641 0.608 . . . . 2.22 112.641 -172.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.595 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 40.5 pt -99.53 -4.92 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.631 -0.427 . . . . 1.09 111.001 178.568 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.96 15.69 56.19 Favored Glycine 0 CA--C 1.523 0.552 0 CA-C-N 116.236 -0.438 . . . . 1.4 114.13 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.446 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 66.62 51.72 39.68 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.795 -0.717 . . . . 1.05 112.683 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.5 mt -81.77 165.44 20.91 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.403 -0.221 . . . . 1.72 110.403 177.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -98.45 148.65 23.5 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.701 -0.481 . . . . 3.77 109.701 174.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.3 p -89.35 151.61 21.97 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.813 -0.63 . . . . 0.56 111.722 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.7 t -87.89 119.99 28.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.337 -0.847 . . . . 1.54 108.879 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -59.49 100.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.941 -0.572 . . . . 0.84 111.468 -177.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.9 tp -117.4 84.43 2.15 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.346 -0.612 . . . . 1.42 109.346 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' HB3' ' H ' ' A' ' 8' ' ' ILE . 50.7 pttt -117.31 119.66 35.81 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.36 0.6 . . . . 2.43 110.68 -177.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.53 -163.63 35.01 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.506 -0.77 . . . . 0.37 111.281 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.449 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 22.3 ttt180 -103.25 109.02 20.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.898 0.349 . . . . 3.27 110.416 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -153.82 173.5 15.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.399 -0.364 . . . . 1.98 111.045 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -79.54 153.5 29.48 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.686 -0.688 . . . . 1.86 110.054 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.546 HD13 HG21 ' A' ' 24' ' ' THR . 61.1 tp -57.48 -50.53 72.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.585 0.231 . . . . 1.18 111.509 -175.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 tm0? -60.88 -44.82 96.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 2.39 110.654 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.69 -39.36 88.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.436 -0.347 . . . . 1.33 111.572 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.3 t -60.33 -49.6 76.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.3 -0.409 . . . . 1.21 110.103 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.38 -40.05 85.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.101 -0.5 . . . . 0.7 110.454 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -57.56 -46.73 83.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.518 -0.764 . . . . 3.38 110.934 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.0 mt -76.58 -41.11 34.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.031 -0.531 . . . . 1.24 111.448 -175.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.8 -43.59 71.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 1.63 111.231 -175.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.546 ' HG ' ' HB3' ' A' ' 64' ' ' TYR . 4.6 mm? -73.17 -47.02 47.29 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.506 0.558 . . . . 2.17 112.506 -174.049 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -50.07 117.92 2.62 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.471 0.653 . . . . 2.3 111.567 -177.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.03 -14.94 11.11 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.623 -0.717 . . . . 1.42 112.247 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 47.9 p -89.88 -8.78 51.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.702 0.287 . . . . 1.25 111.646 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.1 2.95 89.43 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.554 -0.831 . . . . 1.35 112.678 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.7 mt -102.39 164.66 11.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.779 0.323 . . . . 1.28 110.479 -177.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -116.73 132.07 56.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.11 -0.496 . . . . 4.21 109.987 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.546 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 31.1 p90 -100.41 118.21 36.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.243 0.544 . . . . 1.37 110.801 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -108.66 134.23 51.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.613 -0.721 . . . . 2.64 109.817 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.0 tt -113.82 130.97 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.267 0.556 . . . . 1.28 111.053 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -132.32 98.47 4.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.548 -0.751 . . . . 2.29 109.934 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.31 -98.44 0.32 Allowed Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.976 -0.631 . . . . 1.3 112.177 -175.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -124.89 22.44 8.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.835 0.826 . . . . 2.35 109.229 175.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.8 m -111.58 130.91 55.59 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.744 -1.116 . . . . 0.97 109.496 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.4 t -119.21 125.7 74.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.897 -0.409 . . . . 0.68 109.897 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 m -113.67 116.71 29.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.941 0.4 . . . . 0.8 110.557 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.9 t -97.94 103.53 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.984 -0.553 . . . . 1.01 110.112 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.2 t -132.56 165.14 25.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.027 -0.533 . . . . 1.87 110.438 -176.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -108.0 135.89 48.61 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.636 -0.505 . . . . 1.72 109.636 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.8 m 58.86 -164.48 0.2 Allowed 'General case' 0 CA--C 1.537 0.448 0 O-C-N 123.324 0.39 . . . . 2.81 110.154 -175.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.59 96.7 3.29 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.044 -0.41 . . . . 4.62 111.099 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.03 160.08 19.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.102 -0.499 . . . . 5.99 110.419 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.54 -81.98 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 7.46 111.51 -175.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -129.95 -78.91 0.55 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.367 -0.605 . . . . 10.73 109.367 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -92.5 -23.36 19.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.35 -0.841 . . . . 11.5 109.014 174.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.297 0 CA-C-O 118.435 -1.203 . . . . 12.03 111.028 179.91 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 109.846 -0.427 . . . . 3.75 109.846 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 59.61 50.45 7.29 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.395 0.617 . . . . 3.34 111.509 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.492 ' HB3' ' HG2' ' A' ' 46' ' ' ARG . 11.9 mt-10 -122.24 150.54 42.16 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.604 -0.726 . . . . 1.99 109.41 176.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.541 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 20.9 m-90 -134.32 159.28 41.49 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.793 -0.447 . . . . 1.17 109.793 -178.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.1 m -91.12 98.24 11.63 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.598 -0.89 . . . . 1.13 108.598 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.2 mt -97.56 151.81 19.67 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.39 -0.823 . . . . 0.75 110.704 -173.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -138.52 98.3 3.55 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.055 -0.721 . . . . 2.12 109.055 175.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.468 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 1.8 mp -102.75 124.76 37.8 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.557 -0.747 . . . . 0.91 110.776 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.756 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 49.4 Cg_exo -59.18 162.12 14.78 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.673 2.915 . . . . 0.35 113.448 179.306 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -110.83 25.5 11.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.464 -0.789 . . . . 0.43 109.741 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -106.53 -158.85 0.67 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.474 -1.239 . . . . 1.61 108.971 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.8 m -50.2 132.02 23.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.012 0.434 . . . . 1.3 110.854 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.2 ttm -51.34 -25.22 5.61 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.273 -0.876 . . . . 1.29 111.191 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.588 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 39.1 t-20 -53.38 -44.99 69.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.518 -0.764 . . . . 2.26 110.459 176.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 m -77.45 -34.71 54.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.917 0.389 . . . . 1.2 110.453 -178.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.756 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.46 -41.52 97.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.38 111.046 177.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.3 mt -65.15 -40.76 94.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.21 -0.45 . . . . 0.92 110.457 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 14' ' ' ASN . 77.5 mt-30 -60.34 -40.17 89.71 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.88 0.371 . . . . 2.19 110.276 176.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.695 ' O ' ' HB2' ' A' ' 23' ' ' GLN . . . -66.61 -41.12 88.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.897 -0.592 . . . . 0.31 111.031 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.425 HD21 HD11 ' A' ' 8' ' ' ILE . 20.1 mt -67.02 -35.38 79.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.763 0.315 . . . . 1.03 110.968 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB2' HD11 ' A' ' 28' ' ' LEU . . . -60.11 -63.06 1.43 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.671 -0.695 . . . . 0.44 110.599 -177.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.41 -25.96 68.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 3.41 111.064 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.695 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 9.7 tp60 -61.65 -41.8 98.02 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.183 -0.462 . . . . 1.52 110.868 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.7 p -121.74 19.44 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.76 111.471 -175.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 41.49 42.03 1.79 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.004 0.922 . . . . 2.11 112.304 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.7 p -98.34 170.58 8.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 0.76 111.333 -176.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -106.62 135.75 47.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.071 -0.513 . . . . 2.39 110.093 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 21' ' ' ALA . 72.3 mt -103.61 131.72 50.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.944 0.402 . . . . 1.51 110.988 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.9 tp -122.3 101.79 7.72 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.62 -0.718 . . . . 2.03 109.745 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -168.0 162.53 13.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.141 -0.482 . . . . 0.96 110.339 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 14.1 m -102.47 111.39 64.57 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.244 -0.65 . . . . 1.78 109.244 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.532 ' O ' HG12 ' A' ' 35' ' ' ILE . 51.2 Cg_exo -54.18 -38.91 88.01 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.736 2.957 . . . . 1.37 114.047 -171.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.85 -16.99 59.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.78 0.324 . . . . 2.96 111.436 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.422 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 4.9 m-20 -89.91 -0.26 57.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.257 0.465 . . . . 2.22 112.257 -173.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 32' ' ' PRO . 36.6 pt -98.83 0.26 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.755 -0.378 . . . . 1.09 110.651 178.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.44 19.89 49.16 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.821 -0.627 . . . . 1.4 114.049 173.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 55.73 37.72 69.94 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.168 -0.539 . . . . 1.05 112.69 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 91.5 mt -68.35 126.7 30.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.578 -0.527 . . . . 1.72 109.578 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -80.47 137.88 36.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.473 0.654 . . . . 3.77 111.148 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.4 p -92.5 163.37 13.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.126 -0.943 . . . . 0.56 110.678 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 m -87.12 140.47 29.52 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.735 -0.839 . . . . 1.54 108.735 173.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.535 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -57.57 101.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.527 0.517 . . . . 0.84 110.799 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.417 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 20.3 tp -110.13 98.88 8.05 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.52 -0.548 . . . . 1.42 109.52 -178.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.502 ' HE3' ' HB2' ' A' ' 44' ' ' LYS . 15.1 ptmt -136.86 122.89 20.27 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.349 0.595 . . . . 2.43 111.132 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.53 -163.69 33.64 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.239 -0.891 . . . . 0.37 111.059 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.541 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 31.4 ttp180 -95.92 95.88 8.54 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.416 -0.587 . . . . 3.27 109.416 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -138.76 163.06 33.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.944 0.402 . . . . 1.98 111.467 -174.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -78.95 154.98 29.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.238 -0.892 . . . . 1.86 109.287 173.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.513 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 61.2 tp -56.85 -47.7 79.79 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.067 0.46 . . . . 1.18 110.639 -177.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -62.71 -34.85 77.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.794 -0.639 . . . . 2.39 110.651 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.402 ' O ' HG13 ' A' ' 55' ' ' ILE . 46.5 t -61.64 -46.43 89.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.793 -0.639 . . . . 1.33 109.829 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.7 t -60.85 -44.65 96.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 1.21 110.648 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.61 -43.01 98.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.7 111.103 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -66.73 -43.71 83.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.515 . . . . 3.38 111.464 -176.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 51' ' ' SER . 79.8 mt -63.76 -44.46 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.829 0.347 . . . . 1.24 110.71 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.461 HD11 HG21 ' A' ' 8' ' ' ILE . 82.8 mt -70.58 -51.76 26.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 1.63 111.869 -177.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.438 HD22 ' HB3' ' A' ' 64' ' ' TYR . 7.6 mp -95.12 23.22 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.586 0.232 . . . . 2.17 111.536 -175.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -50.45 -55.91 13.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 2.3 111.411 177.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.59 41.53 1.23 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.656 -0.783 . . . . 1.42 112.498 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.3 p -87.32 -6.53 58.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.783 0.325 . . . . 1.25 111.772 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.79 -8.62 61.65 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.708 -0.758 . . . . 1.35 112.498 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.9 mt -109.84 160.05 16.69 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.552 -0.536 . . . . 1.28 109.552 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -116.64 136.33 53.06 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.976 0.417 . . . . 4.21 110.855 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.438 ' HB3' HD22 ' A' ' 57' ' ' LEU . 22.4 p90 -99.19 145.47 27.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.598 -0.728 . . . . 1.37 109.966 178.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.541 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 35.5 tt0 -139.83 134.75 32.18 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.495 -0.557 . . . . 2.64 109.495 176.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.9 tt -120.04 135.43 60.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.977 0.418 . . . . 1.28 110.547 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -150.43 117.47 5.94 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.081 -0.711 . . . . 2.29 109.081 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.31 -107.08 1.74 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.629 -0.796 . . . . 1.3 111.365 -174.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -127.15 23.5 6.48 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.218 0.532 . . . . 2.35 109.695 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.7 m -107.86 132.72 53.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.704 -0.68 . . . . 0.97 110.648 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.5 t -112.48 117.63 55.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.526 -0.761 . . . . 0.68 109.556 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.541 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 26.3 m -107.94 131.47 54.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.815 0.34 . . . . 0.8 110.698 -176.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.1 t -114.97 106.44 20.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.175 -0.466 . . . . 1.01 109.905 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.3 t -111.31 151.13 28.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.16 -0.473 . . . . 1.87 110.369 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.39 157.27 20.55 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.964 0.411 . . . . 1.72 111.61 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.4 t -166.7 -155.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.809 -0.811 . . . . 2.81 108.809 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 63.8 77.38 0.32 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.447 0.642 . . . . 4.62 111.702 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.52 56.98 1.35 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.634 -0.712 . . . . 5.99 110.205 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 58.13 -102.93 0.16 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.561 -0.745 . . . . 7.46 111.226 -176.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -119.32 41.65 3.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.243 -0.651 . . . . 10.73 109.243 176.106 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.9 t70 63.73 45.46 4.5 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 122.011 0.91 . . . . 11.5 109.417 -174.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.971 0 CA-C-O 118.218 -1.323 . . . . 12.03 111.338 -176.774 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.8 m . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.858 0.361 . . . . 3.75 110.613 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -74.78 139.78 43.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.976 -0.557 . . . . 3.34 110.017 176.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -105.91 150.76 25.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.305 -0.407 . . . . 1.99 109.93 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 20.2 m-90 -126.09 155.58 41.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.2 -0.454 . . . . 1.17 110.78 -173.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.4 m -90.19 98.13 11.59 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.446 -0.946 . . . . 1.13 108.446 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.664 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 75.6 mt -109.24 111.08 22.47 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.317 -0.856 . . . . 0.75 110.84 -171.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -96.82 97.84 9.63 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.368 -0.975 . . . . 2.12 108.368 172.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.8 mm -98.5 123.98 48.19 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.939 -0.573 . . . . 0.91 110.926 -172.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 52.5 Cg_exo -56.06 156.44 20.18 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.248 2.632 . . . . 0.35 113.137 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.834 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -113.9 30.79 6.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.96 0.886 . . . . 0.43 109.436 -178.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.598 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 9.3 pt20 -114.6 -157.42 0.63 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.432 -1.258 . . . . 1.61 109.448 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.5 t -48.26 127.29 12.53 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.181 0.515 . . . . 1.3 110.47 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.608 ' HG2' ' HB3' ' A' ' 40' ' ' SER . 51.1 mtt -50.19 -25.48 3.65 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.129 -0.941 . . . . 1.29 112.252 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -56.16 -37.44 69.53 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.106 0.254 . . . . 2.26 110.731 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.0 m -81.91 -46.1 14.53 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.916 0.388 . . . . 1.2 110.493 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.539 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -63.64 -46.49 85.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.665 -0.698 . . . . 0.38 112.101 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.0 mt -68.44 -37.25 80.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.558 -0.292 . . . . 0.92 110.639 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -61.76 -42.41 98.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.144 0.497 . . . . 2.19 110.182 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.1 88.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.779 -0.646 . . . . 0.31 110.94 178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.8 tp -65.13 -40.87 95.06 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.138 -0.483 . . . . 1.03 110.035 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.36 74.33 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.101 -0.954 . . . . 0.44 110.234 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.82 -49.06 77.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.618 -0.719 . . . . 3.41 111.732 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -67.45 -19.27 65.34 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.518 0.562 . . . . 1.52 112.518 -172.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.9 p -115.01 2.62 14.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.187 0.518 . . . . 0.76 111.003 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 t70 48.46 52.07 14.25 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.694 -1.139 . . . . 2.11 110.769 -174.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.9 p -111.71 159.46 18.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.659 -0.701 . . . . 0.76 111.163 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -103.35 109.47 21.1 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.542 -0.753 . . . . 2.39 109.106 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.407 HD23 ' HB ' ' A' ' 71' ' ' VAL . 78.6 mt -102.77 121.14 41.85 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.936 0.398 . . . . 1.51 110.392 -177.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' HB3' ' HA ' ' A' ' 72' ' ' THR . 1.8 tm? -103.26 107.67 18.58 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.391 -0.966 . . . . 2.03 108.391 178.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -142.67 154.22 44.13 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.127 -0.488 . . . . 0.96 110.083 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 t -100.19 111.62 62.65 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.304 -0.407 . . . . 1.78 110.609 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.01 -28.2 87.21 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.946 2.431 . . . . 1.37 111.712 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -75.73 -27.18 58.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.879 -0.6 . . . . 2.96 111.291 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -88.5 -19.93 25.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.598 0.237 . . . . 2.22 111.571 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.468 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 23.0 pt -92.26 -18.87 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.838 -0.43 . . . . 1.09 109.838 174.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.24 2.75 20.96 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.936 -0.574 . . . . 1.4 113.368 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.82 39.91 38.02 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.912 -0.661 . . . . 1.05 112.346 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 3.9 pp -92.41 172.69 8.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.604 -0.517 . . . . 1.72 109.604 178.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.598 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 8.8 ptp180 -82.44 137.65 34.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.345 0.593 . . . . 3.77 111.949 -174.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.608 ' HB3' ' HG2' ' A' ' 13' ' ' MET . 11.1 p -88.06 166.68 14.27 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.009 -0.996 . . . . 0.56 110.645 175.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 m -85.95 115.41 23.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.768 -0.651 . . . . 1.54 109.82 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.834 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -61.21 105.88 0.55 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.869 -0.605 . . . . 0.84 111.316 -177.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.9 tp -110.91 82.94 1.67 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.205 -0.665 . . . . 1.42 109.205 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.664 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 23.5 pttm -103.53 110.41 22.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.842 -0.617 . . . . 2.43 111.134 -174.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.52 -162.28 34.03 Favored Glycine 0 N--CA 1.453 -0.228 0 CA-C-N 115.638 -0.71 . . . . 0.37 111.829 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -93.35 108.15 19.86 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.062 -0.718 . . . . 3.27 109.062 176.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -138.65 151.26 47.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.879 0.371 . . . . 1.98 110.933 -174.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -84.75 161.93 19.82 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.797 -0.816 . . . . 1.86 108.797 171.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 58.7 tp -56.71 -52.05 66.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.947 0.403 . . . . 1.18 110.401 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -58.23 -43.52 87.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.661 -0.699 . . . . 2.39 110.908 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.2 m -62.26 -46.45 88.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.98 -0.555 . . . . 1.33 110.818 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.9 m -60.13 -45.09 94.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 1.21 110.875 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 92.9 mt -60.88 -49.47 77.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.54 . . . . 0.7 111.425 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.47 -42.14 95.59 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.429 0.529 . . . . 3.38 112.429 -174.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.8 -41.21 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.946 -0.302 . . . . 1.24 110.954 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 tt -71.09 -35.91 72.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.355 0.598 . . . . 1.63 109.913 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.766 HD22 ' HD2' ' A' ' 64' ' ' TYR . 12.6 tp -72.68 -15.71 61.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.529 -0.76 . . . . 2.17 111.266 -177.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -56.3 -34.33 66.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.861 -0.608 . . . . 2.3 111.694 -176.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -116.44 11.89 16.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.248 -0.977 . . . . 1.42 113.346 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' A' ' 57' ' ' LEU . 20.4 p -102.95 -7.85 21.14 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.567 0.58 . . . . 1.25 112.567 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.89 19.05 35.31 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 121.265 -0.493 . . . . 1.35 114.177 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.8 mt -105.98 179.87 4.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.946 0.373 . . . . 1.28 110.392 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.938 ' HG3' ' HB2' ' A' ' 76' ' ' SER . 26.5 mmt180 -129.37 163.15 26.4 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.796 -0.446 . . . . 4.21 109.796 178.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.766 ' HD2' HD22 ' A' ' 57' ' ' LEU . 45.7 p90 -124.93 130.68 52.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.206 0.527 . . . . 1.37 111.321 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -107.61 112.72 25.59 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.144 -0.688 . . . . 2.64 109.144 171.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.8 tt -115.58 129.77 71.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.263 0.554 . . . . 1.28 111.452 -173.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -144.38 115.34 7.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.915 -0.584 . . . . 2.29 109.594 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.61 -104.16 0.88 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.711 -0.757 . . . . 1.3 112.017 -175.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -122.72 13.92 10.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.309 0.576 . . . . 2.35 109.659 175.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.6 m -103.29 126.64 50.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.729 -0.668 . . . . 0.97 110.135 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.407 ' HB ' HD23 ' A' ' 28' ' ' LEU . 21.3 t -125.61 120.16 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.836 -0.62 . . . . 0.68 109.992 -178.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.462 ' HA ' ' HB3' ' A' ' 29' ' ' LEU . 59.0 m -109.91 116.1 31.02 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.276 -0.42 . . . . 0.8 110.126 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.1 t -81.37 122.01 35.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.377 -0.601 . . . . 1.01 109.377 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 t -136.27 165.08 26.6 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.972 0.415 . . . . 1.87 110.855 -173.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.65 119.52 38.69 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.989 -0.55 . . . . 1.72 110.171 178.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.938 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 19.3 m -153.69 166.81 31.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.415 -0.357 . . . . 2.81 110.26 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -140.46 146.18 37.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.203 -0.453 . . . . 4.62 109.919 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.21 -177.97 6.38 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.085 -0.339 . . . . 5.99 110.085 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 60.69 57.89 2.57 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.597 0.713 . . . . 7.46 110.115 -176.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -86.83 44.99 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.522 -0.763 . . . . 10.73 110.98 -175.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 62.93 -87.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.524 -0.762 . . . . 11.5 112.031 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.209 -1.328 . . . . 12.03 111.325 -176.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 121.237 0.541 . . . . 3.75 111.522 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -129.59 147.91 51.44 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.084 -0.71 . . . . 3.34 109.084 175.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -101.21 147.46 26.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.428 0.633 . . . . 1.99 111.079 -177.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.413 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 24.8 m-90 -109.71 138.15 46.49 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.042 -0.981 . . . . 1.17 109.23 176.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -90.72 97.04 10.94 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.415 -0.957 . . . . 1.13 108.415 175.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.7 mt -102.04 157.02 17.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.057 -0.974 . . . . 0.75 111.488 -170.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -141.07 98.94 3.48 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.458 -0.941 . . . . 2.12 108.458 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 94.2 mt -108.18 122.81 39.44 Favored Pre-proline 0 C--N 1.315 -0.893 0 CA-C-N 115.467 -0.788 . . . . 0.91 111.048 -173.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 49.0 Cg_exo -59.84 156.45 38.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 123.896 3.064 . . . . 0.35 114.018 -177.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -104.62 32.56 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.005 -0.998 . . . . 0.43 109.148 173.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -100.46 -155.56 0.52 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.473 -1.24 . . . . 1.61 109.079 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 m -53.56 137.85 35.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.17 0.51 . . . . 1.3 110.331 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 51.3 tpp -49.97 -29.3 8.23 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.024 -0.989 . . . . 1.29 111.526 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -54.65 -40.77 69.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.693 -0.685 . . . . 2.26 111.16 176.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.6 m -75.95 -38.61 57.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.577 0.227 . . . . 1.2 110.607 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.43 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -57.74 -51.01 71.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.38 110.755 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.65 -43.37 84.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.884 -0.598 . . . . 0.92 110.639 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.53 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 34.5 tt0 -59.81 -45.55 92.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.119 -0.491 . . . . 2.19 110.543 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.16 -35.01 78.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 0.31 110.976 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.6 tp -65.5 -42.13 92.44 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.9 0.381 . . . . 1.03 110.768 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.03 -46.27 88.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.587 -0.733 . . . . 0.44 110.631 -175.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 25.4 mtpp -63.83 -34.61 78.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.23 -0.896 . . . . 3.41 111.335 -178.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -86.72 -23.85 25.38 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.782 0.66 . . . . 1.52 112.782 -172.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.8 p -113.65 6.68 17.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.177 -0.609 . . . . 0.76 112.22 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 57.51 35.79 26.21 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.138 -0.483 . . . . 2.11 111.539 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.6 p -103.31 159.65 15.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.049 0.452 . . . . 0.76 111.782 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -103.58 119.09 38.2 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.212 -0.662 . . . . 2.39 109.212 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.502 HD23 ' HB ' ' A' ' 71' ' ' VAL . 65.2 mt -107.66 122.3 46.43 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.362 0.601 . . . . 1.51 111.589 -173.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' A' ' 72' ' ' THR . 1.1 tm? -110.53 93.82 4.69 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 107.515 -1.291 . . . . 2.03 107.515 174.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.538 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 40.3 p90 -117.6 162.8 17.42 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.186 -0.461 . . . . 0.96 110.53 -174.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.439 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 23.5 m -106.25 95.28 11.05 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.503 -0.771 . . . . 1.78 110.476 -178.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.538 ' HD3' ' O ' ' A' ' 30' ' ' TYR . 17.1 Cg_exo -66.72 -37.13 22.13 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.756 2.304 . . . . 1.37 112.273 -177.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.07 -30.11 63.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.189 0.518 . . . . 2.96 109.848 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 25.5 t70 -80.34 -18.06 50.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.446 -0.797 . . . . 2.22 111.598 -176.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.459 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 45.2 pt -90.64 -20.37 6.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.093 -0.643 . . . . 1.09 110.1 177.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.16 32.64 72.02 Favored Glycine 0 C--N 1.334 0.424 0 CA-C-N 115.288 -0.869 . . . . 1.4 114.045 169.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.78 87.08 0.55 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.838 -0.696 . . . . 1.05 112.505 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.2 mt -119.51 159.03 25.1 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.163 -0.31 . . . . 1.72 110.163 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.39 139.87 49.62 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.517 -0.549 . . . . 3.77 109.517 170.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.427 ' OG ' ' HB2' ' A' ' 16' ' ' ALA . 5.1 p -92.57 159.67 15.38 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.556 -0.747 . . . . 0.56 111.348 -176.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.6 t -88.29 127.03 35.46 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 107.933 -1.136 . . . . 1.54 107.933 170.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -53.26 110.8 0.59 Allowed 'General case' 0 C--O 1.236 0.362 0 O-C-N 123.642 0.589 . . . . 0.84 111.213 -175.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 43' ' ' LEU . 1.9 tm? -110.23 86.0 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.347 -0.982 . . . . 1.42 108.347 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.51 110.89 15.63 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.49 -0.777 . . . . 2.43 110.429 -175.351 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.72 -163.57 35.52 Favored Glycine 0 N--CA 1.442 -0.96 0 CA-C-N 115.523 -0.762 . . . . 0.37 111.444 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 78.8 mtp180 -102.23 110.42 22.37 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.638 -0.505 . . . . 3.27 109.638 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -144.24 156.96 44.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.492 -0.322 . . . . 1.98 110.488 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.94 162.28 26.1 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.246 -0.65 . . . . 1.86 109.246 173.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.59 -56.02 26.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.677 0.217 . . . . 1.18 111.213 -174.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -58.32 -40.33 81.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.934 0.397 . . . . 2.39 111.143 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.467 ' O ' HG13 ' A' ' 55' ' ' ILE . 4.3 m -61.83 -45.85 92.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.74 -0.664 . . . . 1.33 110.775 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -61.05 -41.11 95.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.037 -0.528 . . . . 1.21 110.953 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 97.8 mt -64.72 -39.99 94.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.064 -0.516 . . . . 0.7 110.816 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -65.19 -39.26 92.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.975 -0.557 . . . . 3.38 111.144 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 51' ' ' SER . 67.8 mt -64.42 -52.47 54.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.654 0.264 . . . . 1.24 111.232 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.79 -38.34 81.63 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.292 0.478 . . . . 1.63 112.292 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.441 ' HA ' ' OG1' ' A' ' 60' ' ' THR . 8.4 mp -104.37 11.63 34.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.292 0.478 . . . . 2.17 112.292 -174.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -56.37 -44.1 79.83 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.618 0.599 . . . . 2.3 112.618 -177.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.28 16.29 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.06 -1.067 . . . . 1.42 113.271 -173.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 57' ' ' LEU . 11.8 p -96.17 2.23 52.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.867 0.365 . . . . 1.25 111.617 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.68 22.3 63.89 Favored Glycine 0 C--N 1.333 0.361 0 C-N-CA 121.139 -0.553 . . . . 1.35 113.285 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.7 mt -100.7 158.94 15.58 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.973 -0.38 . . . . 1.28 109.973 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.498 ' NE ' ' HA ' ' A' ' 63' ' ' ARG . 4.5 mmp_? -120.99 127.3 51.65 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.801 0.334 . . . . 4.21 110.196 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.405 ' HB3' HD22 ' A' ' 57' ' ' LEU . 39.7 p90 -100.42 117.6 34.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.768 -0.651 . . . . 1.37 109.635 177.157 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.473 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 49.1 tt0 -106.57 115.44 30.2 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 109.505 -0.554 . . . . 2.64 109.505 178.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.3 tt -98.95 114.95 38.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.563 0.697 . . . . 1.28 110.121 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -119.94 99.54 6.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.932 -1.031 . . . . 2.29 109.422 -176.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.52 -103.36 0.67 Allowed Glycine 0 CA--C 1.519 0.296 0 C-N-CA 121.034 -0.603 . . . . 1.3 112.061 -174.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -112.73 9.16 19.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.256 0.551 . . . . 2.35 109.949 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 m -105.73 136.78 44.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.702 -0.681 . . . . 0.97 110.527 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.502 ' HB ' HD23 ' A' ' 28' ' ' LEU . 47.7 t -119.27 122.28 68.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.405 -0.591 . . . . 0.68 109.405 176.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.473 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 15.2 m -103.23 114.96 29.67 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.504 -0.316 . . . . 0.8 110.307 -176.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.6 104.02 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.04 -0.527 . . . . 1.01 110.112 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.1 t -138.52 150.94 46.89 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.733 -0.667 . . . . 1.87 110.022 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.38 152.77 45.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 1.72 110.393 176.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.407 ' OG ' ' HG2' ' A' ' 63' ' ' ARG . 16.5 m -71.46 100.65 2.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.146 -0.479 . . . . 2.81 110.797 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.81 -44.31 64.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.288 0.566 . . . . 4.62 109.805 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -116.46 122.88 46.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.533 -0.758 . . . . 5.99 109.542 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.11 37.84 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.876 0.37 . . . . 7.46 111.654 -176.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -79.06 -63.12 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.606 -0.516 . . . . 10.73 109.606 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.3 t70 60.48 97.4 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 O-C-N 124.012 0.82 . . . . 11.5 111.835 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.337 -1.257 . . . . 12.03 111.452 177.145 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 120.999 0.428 . . . . 3.75 110.66 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -128.52 36.61 4.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.571 0.7 . . . . 3.34 109.199 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -111.43 170.95 7.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.872 -1.058 . . . . 1.99 109.735 -176.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.2 m-90 -118.25 149.34 41.28 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.965 -0.561 . . . . 1.17 110.498 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.6 m -91.51 98.35 11.62 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 108.019 -1.104 . . . . 1.13 108.019 172.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 76.8 mt -112.12 119.13 37.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.632 -0.713 . . . . 0.75 111.597 -170.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.497 ' HA ' ' HB3' ' A' ' 44' ' ' LYS . 14.3 t70 -95.0 115.86 27.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.261 -0.644 . . . . 2.12 109.261 169.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.643 HD11 HD23 ' A' ' 20' ' ' LEU . 35.1 mm -105.15 120.95 48.08 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-O 120.753 0.311 . . . . 0.91 110.3 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.519 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 32.4 Cg_exo -60.18 146.1 97.06 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 123.166 2.578 . . . . 0.35 112.639 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.45 29.64 4.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.635 0.731 . . . . 0.43 109.816 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -95.17 -156.76 0.53 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.998 -1.001 . . . . 1.61 109.285 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.2 m -53.55 140.73 27.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.034 0.445 . . . . 1.3 110.207 174.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.41 ' HB3' HD12 ' A' ' 35' ' ' ILE . 50.7 tpp -51.14 -33.65 27.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.087 -0.96 . . . . 1.29 111.615 -177.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -55.46 -38.39 68.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 2.26 111.024 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.2 t -70.57 -44.11 68.06 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.919 -0.4 . . . . 1.2 109.919 -176.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.519 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.61 -47.02 85.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.867 -0.606 . . . . 0.38 111.009 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.44 ' O ' HD12 ' A' ' 28' ' ' LEU . 96.3 mt -64.86 -50.35 66.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.971 -0.559 . . . . 0.92 110.999 -178.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -62.25 -37.44 85.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.786 0.327 . . . . 2.19 110.879 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.4 80.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.301 -0.409 . . . . 0.31 110.787 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.643 HD23 HD11 ' A' ' 8' ' ' ILE . 2.7 tm? -66.05 -41.45 90.8 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.352 -0.61 . . . . 1.03 109.352 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.86 -51.55 67.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.47 -0.786 . . . . 0.44 110.199 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -63.29 -51.22 66.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.019 -0.991 . . . . 3.41 111.578 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -72.73 -25.55 61.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.691 . . . . 1.52 112.806 -169.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.16 13.15 21.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.22 0.533 . . . . 0.76 110.941 -176.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 53.15 62.07 2.85 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.744 -1.116 . . . . 2.11 111.189 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.0 p -139.12 165.14 27.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.189 -0.46 . . . . 0.76 111.378 -176.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -110.85 123.11 49.47 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.397 -0.594 . . . . 2.39 109.397 175.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.556 HD23 ' HB ' ' A' ' 71' ' ' VAL . 76.7 mt -120.43 127.07 51.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.099 0.476 . . . . 1.51 111.065 -176.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -107.64 121.77 45.36 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.825 -0.625 . . . . 2.03 109.675 176.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -157.46 151.12 24.06 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.9 -0.591 . . . . 0.96 109.972 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 m -106.47 111.35 64.11 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 116.38 -0.373 . . . . 1.78 110.553 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.95 -23.64 69.12 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.993 2.462 . . . . 1.37 112.464 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -71.55 -40.94 69.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.784 -0.644 . . . . 2.96 111.326 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -88.03 -5.83 58.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.858 -0.61 . . . . 2.22 111.882 -170.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.446 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 29.9 pt -97.3 12.19 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 1.09 110.506 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.35 -6.63 5.57 Favored Glycine 0 CA--C 1.52 0.371 0 CA-C-N 115.64 -0.709 . . . . 1.4 114.686 170.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.42 49.04 21.39 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.253 -0.975 . . . . 1.05 111.088 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 58.9 mt -83.73 173.24 11.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.531 -0.335 . . . . 1.72 110.166 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.52 144.18 46.22 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.794 -0.447 . . . . 3.77 109.794 174.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 p -90.87 160.85 15.5 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.66 -0.7 . . . . 0.56 112.162 -174.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -91.88 134.02 35.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.184 -0.916 . . . . 1.54 109.127 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.19 105.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.84 111.457 -176.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 43' ' ' LEU . 1.3 tm? -115.78 99.61 7.43 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.828 -0.805 . . . . 1.42 108.828 176.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 30.1 pttt -135.92 126.51 27.05 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.343 0.592 . . . . 2.43 111.47 -178.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.61 -162.59 33.57 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 114.891 -1.05 . . . . 0.37 110.654 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.08 97.46 9.95 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.451 -0.574 . . . . 3.27 109.451 177.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -137.48 148.63 46.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.184 -0.462 . . . . 1.98 110.192 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -82.66 179.17 7.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.973 -0.38 . . . . 1.86 109.973 175.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 60.6 tp -58.74 -57.28 13.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.472 -0.331 . . . . 1.18 111.339 -176.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -63.61 -36.99 85.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.496 -0.32 . . . . 2.39 110.911 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.2 t -60.46 -54.31 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.434 -0.348 . . . . 1.33 110.583 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.7 p -61.96 -43.62 98.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.259 -0.428 . . . . 1.21 111.389 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 91.0 mt -60.34 -46.65 89.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.593 -0.276 . . . . 0.7 111.476 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -61.73 -42.11 98.53 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.858 0.318 . . . . 3.38 111.858 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.2 mt -73.49 -45.31 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.679 0.276 . . . . 1.24 111.178 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 tt -68.49 -46.81 68.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 1.63 111.128 -175.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 62' ' ' LEU . 22.7 tp -71.07 -36.02 72.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.365 -0.38 . . . . 2.17 111.112 -174.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -46.82 111.2 0.36 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.871 -0.604 . . . . 2.3 112.389 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.18 -12.74 21.77 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.693 -0.765 . . . . 1.42 113.373 175.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.0 p -91.82 -8.12 47.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.088 0.444 . . . . 1.25 112.184 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.59 10.23 84.72 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.663 -0.779 . . . . 1.35 113.045 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.749 ' HB2' HD11 ' A' ' 57' ' ' LEU . 64.8 mt -101.05 161.16 13.79 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.964 -0.384 . . . . 1.28 109.964 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 63' ' ' ARG . 49.3 mtt180 -127.34 145.6 50.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.477 -0.329 . . . . 4.21 110.213 177.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -105.9 121.83 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.3 0.571 . . . . 1.37 110.901 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.44 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 6.5 tp-100 -97.45 105.88 18.1 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.471 -0.937 . . . . 2.64 108.471 171.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.7 tt -101.91 124.7 55.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.487 0.661 . . . . 1.28 111.662 -171.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -126.78 88.85 2.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.541 -0.754 . . . . 2.29 109.585 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.6 -98.2 0.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.731 -0.668 . . . . 1.3 112.693 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -113.08 -0.86 14.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.159 0.504 . . . . 2.35 110.543 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.2 m -108.43 132.18 54.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.788 -0.642 . . . . 0.97 109.988 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.556 ' HB ' HD23 ' A' ' 28' ' ' LEU . 50.3 t -128.23 130.25 69.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.77 0.319 . . . . 0.68 110.412 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.44 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 30.2 m -108.44 112.92 25.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.185 -0.461 . . . . 0.8 109.946 178.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -90.29 106.34 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.147 0.498 . . . . 1.01 110.115 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.1 t -112.54 147.62 36.22 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.797 -0.638 . . . . 1.87 110.55 -177.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.31 134.44 35.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.233 -0.44 . . . . 1.72 109.927 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.9 t -77.43 -21.42 53.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.541 -0.299 . . . . 2.81 110.534 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 59.8 -86.49 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.76 -0.654 . . . . 4.62 111.781 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -155.0 19.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.47 -0.332 . . . . 5.99 110.561 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -155.36 174.49 15.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.42 -0.355 . . . . 7.46 110.905 -175.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -127.42 18.81 6.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.293 0.568 . . . . 10.73 110.02 176.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -142.49 142.36 32.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.757 -0.656 . . . . 11.5 109.664 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.693 -1.059 . . . . 12.03 111.794 -179.414 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 109.616 -0.513 . . . . 3.75 109.616 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 56.99 76.46 0.31 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.685 0.615 . . . . 3.34 111.31 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -105.52 177.58 4.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.272 -0.876 . . . . 1.99 109.523 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -129.51 154.55 46.9 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.815 -0.809 . . . . 1.17 108.815 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 5' ' ' THR . 6.9 t -88.16 97.29 10.91 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.043 -1.095 . . . . 1.13 108.043 173.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.739 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 84.0 mt -95.26 94.68 8.02 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.336 -1.302 . . . . 0.75 109.72 -173.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.499 ' HA ' ' CB ' ' A' ' 44' ' ' LYS . 4.7 m-20 -100.93 97.76 8.31 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.826 -1.079 . . . . 2.12 108.663 -178.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.533 HD11 HD13 ' A' ' 20' ' ' LEU . 96.0 mt -109.9 125.05 31.99 Favored Pre-proline 0 C--N 1.313 -1.018 0 CA-C-N 115.227 -0.897 . . . . 0.91 111.472 -169.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.681 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 45.0 Cg_exo -58.02 158.73 20.38 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 124.077 3.184 . . . . 0.35 114.243 -175.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.07 28.94 7.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.787 -1.097 . . . . 0.43 109.434 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.444 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 79.5 mt-30 -99.11 -161.79 0.9 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.446 -1.252 . . . . 1.61 109.252 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 p -55.47 137.53 48.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.073 0.463 . . . . 1.3 110.077 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.411 ' HB2' HD12 ' A' ' 35' ' ' ILE . 34.7 mtt -50.95 -25.28 4.45 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.354 -0.839 . . . . 1.29 112.655 -178.284 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -55.38 -43.36 75.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.635 0.255 . . . . 2.26 110.497 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.4 m -76.69 -44.58 33.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.1 0.476 . . . . 1.2 110.243 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.681 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.45 -50.78 71.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.588 -0.733 . . . . 0.38 111.907 -176.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.51 -39.16 85.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.258 -0.428 . . . . 0.92 110.7 -177.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -65.26 -34.25 77.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.015 0.436 . . . . 2.19 110.735 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -66.89 -38.79 86.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.31 110.294 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.533 HD13 HD11 ' A' ' 8' ' ' ILE . 65.2 tp -65.33 -34.69 78.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.826 -0.624 . . . . 1.03 109.74 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.28 95.21 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.415 -0.811 . . . . 0.44 110.248 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -64.5 -47.59 78.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.776 -0.647 . . . . 3.41 110.901 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.654 ' OE1' ' HA ' ' A' ' 6' ' ' LEU . 78.1 mt-30 -65.14 -37.26 86.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.773 -0.649 . . . . 1.52 112.579 -171.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.9 p -110.57 18.0 20.16 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.099 -0.375 . . . . 0.76 111.356 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 40.95 37.56 0.55 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.096 0.958 . . . . 2.11 112.302 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -99.97 167.28 10.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.655 -0.702 . . . . 0.76 111.273 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -106.72 118.83 37.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.806 -0.634 . . . . 2.39 110.024 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.55 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 8.5 mp -115.01 131.79 56.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.207 0.527 . . . . 1.51 110.713 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 29' ' ' LEU . 3.7 mm? -107.57 116.84 32.67 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.548 -0.751 . . . . 2.03 109.537 177.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -152.33 142.88 22.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.955 -0.566 . . . . 0.96 109.868 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.9 t -108.14 125.62 31.59 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 116.186 -0.461 . . . . 1.78 109.793 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.33 -28.44 84.73 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.903 2.402 . . . . 1.37 111.89 176.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -71.85 -34.22 69.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 2.96 109.945 176.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -79.64 -26.31 41.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.527 -0.76 . . . . 2.22 111.027 -173.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.477 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 17.8 pt -93.78 -19.3 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.713 0.292 . . . . 1.09 110.831 177.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.58 4.49 65.56 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.066 -0.588 . . . . 1.4 113.423 175.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.2 34.75 19.84 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.594 -0.812 . . . . 1.05 112.217 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 90.1 mt -75.98 143.97 41.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.09 -0.337 . . . . 1.72 110.09 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 37.7 ptt180 -90.1 137.93 31.93 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.244 0.545 . . . . 3.77 110.326 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 p -88.5 161.19 17.13 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.485 -0.779 . . . . 0.56 111.462 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.1 m -86.54 132.37 33.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.556 -0.747 . . . . 1.54 109.726 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.4 106.16 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.7 -0.682 . . . . 0.84 111.997 -174.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 tt -116.82 93.62 4.27 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.146 -1.057 . . . . 1.42 108.146 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.739 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 21.5 pttp -131.38 121.21 24.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.398 0.618 . . . . 2.43 110.957 -178.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.26 -163.7 35.31 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.583 -0.735 . . . . 0.37 111.678 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -99.95 98.16 8.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.969 0.414 . . . . 3.27 110.094 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -137.74 173.8 11.26 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.089 -0.505 . . . . 1.98 110.186 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -95.43 171.73 8.52 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.057 -0.72 . . . . 1.86 109.057 171.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.18 -56.37 22.37 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.884 0.327 . . . . 1.18 111.884 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -57.81 -49.29 77.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 2.39 112.229 -174.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.6 m -61.79 -39.22 90.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.713 0.292 . . . . 1.33 111.624 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.3 m -61.13 -41.2 96.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.559 -0.291 . . . . 1.21 110.981 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.89 -34.34 77.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.7 110.74 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.4 ' HD2' ' OH ' ' A' ' 64' ' ' TYR . 27.2 mmm180 -59.57 -51.01 71.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 3.38 111.02 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.5 mt -80.61 -31.63 12.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.152 -0.476 . . . . 1.24 111.645 -174.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.461 ' HB3' HD22 ' A' ' 57' ' ' LEU . 3.5 tt -65.89 -46.72 77.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.469 -0.332 . . . . 1.63 110.927 -175.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.807 HD12 ' HB2' ' A' ' 62' ' ' LEU . 3.0 mm? -86.16 -18.39 32.37 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 121.092 -0.243 . . . . 2.17 111.03 -177.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -50.19 101.01 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 2.3 111.943 174.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.27 -17.91 26.08 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.553 -0.832 . . . . 1.42 113.582 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.9 p -92.68 -2.64 55.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.277 0.539 . . . . 1.25 111.811 -176.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.5 19.84 67.21 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 121.135 -0.555 . . . . 1.35 113.705 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.807 ' HB2' HD12 ' A' ' 57' ' ' LEU . 59.5 mt -92.22 154.48 18.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.388 -0.478 . . . . 1.28 110.277 -179.162 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.442 ' HB2' ' HB2' ' A' ' 76' ' ' SER . 28.4 tpt180 -112.89 125.16 54.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.962 -0.563 . . . . 4.21 109.724 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.4 ' OH ' ' HD2' ' A' ' 54' ' ' ARG . 44.0 p90 -113.51 122.97 48.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.244 0.545 . . . . 1.37 111.311 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.441 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -100.26 107.7 19.59 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.957 -0.757 . . . . 2.64 108.957 174.246 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.5 tt -109.5 125.73 66.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.061 0.458 . . . . 1.28 110.756 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -145.99 122.74 11.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.833 -0.621 . . . . 2.29 109.85 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.55 -108.03 1.65 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.707 . . . . 1.3 112.192 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.3 p-10 -121.45 17.89 11.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.457 0.646 . . . . 2.35 109.996 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 31.5 m -113.93 132.19 56.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.394 -0.821 . . . . 0.97 110.383 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.55 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 47.4 t -128.97 128.81 67.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.209 -0.451 . . . . 0.68 110.046 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.441 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 22.9 m -114.62 119.08 35.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.834 -0.432 . . . . 0.8 109.834 178.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.0 t -113.34 112.99 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.487 -0.324 . . . . 1.01 110.483 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 t -133.11 149.65 52.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.073 -0.512 . . . . 1.87 110.57 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.76 108.63 14.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.44 -0.345 . . . . 1.72 110.667 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.442 ' HB2' ' HB2' ' A' ' 63' ' ' ARG . 28.7 t -86.0 124.85 32.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.262 -0.426 . . . . 2.81 110.508 -177.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.43 132.46 35.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 4.62 110.0 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.99 158.58 17.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.446 -0.343 . . . . 5.99 110.978 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.13 -60.08 3.8 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.934 0.397 . . . . 7.46 110.862 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -97.41 134.88 40.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.954 -0.566 . . . . 10.73 109.534 176.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -144.12 122.0 12.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.192 -0.458 . . . . 11.5 110.948 -172.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.747 -1.029 . . . . 12.03 111.495 177.781 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.6 p . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 120.798 0.333 . . . . 3.75 110.957 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -112.69 110.39 20.5 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.379 -0.373 . . . . 3.34 110.473 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -103.09 163.19 12.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.04 -0.527 . . . . 1.99 109.583 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.532 ' HZ3' ' H ' ' A' ' 49' ' ' LEU . 30.1 m-90 -126.45 150.43 48.69 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.488 -0.56 . . . . 1.17 109.488 179.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 m -88.73 99.29 12.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.962 -0.755 . . . . 1.13 108.962 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.46 ' HA ' ' OE1' ' A' ' 23' ' ' GLN . 70.2 mt -101.49 148.59 25.01 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.863 -0.608 . . . . 0.75 111.65 -170.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -139.1 106.51 5.54 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.275 -1.009 . . . . 2.12 108.275 173.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.489 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 87.0 mt -115.09 125.74 28.61 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.458 -0.792 . . . . 0.91 111.187 -169.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.633 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 47.5 Cg_exo -58.52 156.63 30.55 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.646 2.897 . . . . 0.35 113.708 -177.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.542 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -109.94 22.21 15.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.053 -0.976 . . . . 0.43 109.676 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.54 HE21 ' CB ' ' A' ' 15' ' ' SER . 11.6 pt20 -99.43 -150.9 0.38 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.982 -1.008 . . . . 1.61 109.079 178.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.3 t -51.08 131.96 27.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.163 0.506 . . . . 1.3 110.94 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.43 ' HB3' HD12 ' A' ' 35' ' ' ILE . 46.7 tpp -50.41 -28.37 8.04 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 114.922 -1.036 . . . . 1.29 110.895 178.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -53.51 -42.61 67.52 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.541 -0.754 . . . . 2.26 111.266 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.54 ' CB ' HE21 ' A' ' 11' ' ' GLN . 8.5 m -78.23 -39.23 41.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.834 0.349 . . . . 1.2 110.58 -176.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.633 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -59.29 -45.18 91.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 0.38 111.257 -178.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.3 mt -65.44 -41.11 93.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.124 -0.489 . . . . 0.92 110.985 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -65.58 -37.21 86.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.661 0.267 . . . . 2.19 111.083 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.547 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -65.83 -41.83 91.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.31 110.698 178.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.485 HD13 HD11 ' A' ' 8' ' ' ILE . 67.0 tp -65.73 -35.07 79.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 1.03 110.148 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.429 ' HB2' HD13 ' A' ' 28' ' ' LEU . . . -62.0 -58.3 8.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.225 -0.898 . . . . 0.44 111.034 -176.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -65.74 -22.14 66.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.957 -0.565 . . . . 3.41 112.034 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.547 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 42.0 mt-30 -83.36 -22.58 32.76 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.634 -0.426 . . . . 1.52 111.748 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.6 p -116.54 1.54 12.93 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.758 -0.377 . . . . 0.76 111.886 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.9 t70 57.52 47.06 16.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.485 -0.78 . . . . 2.11 110.344 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 p -114.48 156.26 24.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.771 -0.65 . . . . 0.76 110.89 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -104.09 120.31 40.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.605 -0.517 . . . . 2.39 109.605 177.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.429 HD13 ' HB2' ' A' ' 21' ' ' ALA . 10.5 mp -110.19 130.5 55.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.173 0.511 . . . . 1.51 110.941 -176.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.8 tp -112.54 111.24 21.92 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.559 -0.746 . . . . 2.03 109.453 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -151.98 151.36 31.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.379 -0.373 . . . . 0.96 110.163 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.438 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 50.6 m -96.21 107.48 35.47 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.463 -0.569 . . . . 1.78 109.463 177.132 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 31' ' ' SER . 35.6 Cg_exo -59.8 -37.1 88.76 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.54 2.826 . . . . 1.37 113.641 -172.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -79.23 -22.48 44.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.315 0.579 . . . . 2.96 110.523 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -81.69 -15.67 53.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.767 -0.651 . . . . 2.22 110.892 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.43 HD12 ' HB3' ' A' ' 13' ' ' MET . 24.6 pt -97.55 13.78 4.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.179 0.514 . . . . 1.09 109.868 177.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.2 -17.05 1.92 Allowed Glycine 0 C--N 1.334 0.426 0 CA-C-N 115.575 -0.739 . . . . 1.4 114.225 172.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.18 37.78 48.13 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.139 -1.029 . . . . 1.05 111.139 -174.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' A' ' 38' ' ' LEU . 3.8 pp -84.87 161.77 19.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.533 -0.543 . . . . 1.72 109.533 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 5.2 ptp180 -80.57 142.38 34.15 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.234 0.54 . . . . 3.77 111.048 -177.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.4 p -89.85 160.11 16.64 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.183 -0.917 . . . . 0.56 110.553 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -87.64 124.67 33.78 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.099 -0.704 . . . . 1.54 109.099 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.542 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -56.82 108.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.831 -0.622 . . . . 0.84 111.434 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.9 tp -111.27 87.24 2.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.45 0.643 . . . . 1.42 109.627 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -115.93 117.56 30.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.651 -0.704 . . . . 2.43 110.56 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.58 -163.58 34.91 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.204 -0.758 . . . . 0.37 111.204 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.532 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 38.4 ttp180 -115.62 103.06 10.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 117.406 0.603 . . . . 3.27 109.768 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -142.83 171.75 13.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.817 0.341 . . . . 1.98 111.183 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -72.35 164.63 26.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.487 -0.779 . . . . 1.86 110.249 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.532 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 64.2 tp -60.71 -58.32 8.96 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.103 0.478 . . . . 1.18 110.006 176.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -61.9 -34.32 75.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.428 -0.805 . . . . 2.39 111.185 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.2 t -62.28 -49.99 73.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.264 -0.425 . . . . 1.33 110.25 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.6 m -61.64 -42.25 98.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 1.21 111.106 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 96.0 mt -56.89 -44.33 82.2 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.866 0.365 . . . . 0.7 110.767 177.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 54' ' ' ARG . 41.5 ttp180 -60.29 -47.28 86.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.98 -0.555 . . . . 3.38 111.149 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.4 mt -64.18 -47.13 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.788 0.328 . . . . 1.24 111.503 -178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.535 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -69.25 -35.4 76.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.916 0.389 . . . . 1.63 110.912 -176.086 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.535 HD12 ' HB3' ' A' ' 56' ' ' LEU . 8.4 mp -106.49 20.86 18.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.721 -0.218 . . . . 2.17 111.54 -177.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -52.25 -38.57 58.53 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.334 0.494 . . . . 2.3 112.334 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -164.18 34.02 0.28 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.658 -0.782 . . . . 1.42 112.313 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.466 ' OG1' ' HA ' ' A' ' 57' ' ' LEU . 2.1 p -88.17 -0.49 57.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.886 0.374 . . . . 1.25 111.552 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.18 1.87 86.1 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.761 -0.733 . . . . 1.35 112.093 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.72 150.19 22.56 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.919 -0.4 . . . . 1.28 109.919 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.751 ' HB2' HG23 ' A' ' 74' ' ' THR . 49.7 mtp180 -117.76 138.37 52.09 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.094 -0.503 . . . . 4.21 109.913 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -103.26 117.36 34.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.529 0.68 . . . . 1.37 111.057 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.549 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 26.4 tt0 -108.01 113.42 26.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.327 -0.851 . . . . 2.64 109.433 174.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.4 tt -99.89 126.29 53.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.429 0.633 . . . . 1.28 110.553 -177.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -134.39 101.86 5.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.404 -0.816 . . . . 2.29 109.761 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.04 -105.52 0.79 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.913 -0.66 . . . . 1.3 112.381 -175.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -110.03 9.2 24.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.027 0.442 . . . . 2.35 110.32 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.5 m -108.1 134.38 51.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.807 -0.633 . . . . 0.97 111.127 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.413 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 40.9 t -112.57 112.83 42.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.77 -0.826 . . . . 0.68 108.77 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.549 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 9.2 m -101.18 116.86 33.81 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 110.06 -0.348 . . . . 0.8 110.06 -176.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.3 t -98.68 112.7 31.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.016 -0.538 . . . . 1.01 110.077 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . 0.751 HG23 ' HB2' ' A' ' 63' ' ' ARG . 1.9 t -110.29 130.84 55.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.011 -0.541 . . . . 1.87 109.905 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.43 131.31 35.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.077 -0.51 . . . . 1.72 110.755 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.2 p -107.39 127.06 53.24 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.863 -0.421 . . . . 2.81 109.863 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 60.23 36.51 20.84 Favored 'General case' 0 N--CA 1.463 0.192 0 O-C-N 123.582 0.551 . . . . 4.62 111.476 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.18 0.96 14.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.124 0.488 . . . . 5.99 110.305 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.66 111.62 23.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.604 -0.725 . . . . 7.46 111.011 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -94.77 -20.72 19.26 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.789 -0.819 . . . . 10.73 108.789 172.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -88.45 135.2 33.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.043 -0.98 . . . . 11.5 109.483 175.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.655 -1.081 . . . . 12.03 111.629 -176.612 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 120.917 0.389 . . . . 3.75 110.202 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -118.69 160.1 22.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.152 -0.477 . . . . 3.34 110.477 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -132.15 176.26 8.54 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.536 -0.542 . . . . 1.99 109.536 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.525 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 26.3 m-90 -126.35 148.53 49.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.755 0.312 . . . . 1.17 111.155 -172.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.8 m -89.73 103.89 16.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.663 -0.866 . . . . 1.13 108.663 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.537 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 34.9 mt -117.87 118.13 31.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.867 -0.606 . . . . 0.75 111.03 -171.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -95.62 98.59 10.61 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.739 -0.837 . . . . 2.12 108.739 171.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.454 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 41.8 mm -101.13 120.13 56.01 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.108 -0.496 . . . . 0.91 111.154 -173.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.498 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 49.1 Cg_exo -58.89 157.99 26.57 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.694 2.929 . . . . 0.35 113.546 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.574 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -116.72 32.01 6.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.334 -0.848 . . . . 0.43 109.599 178.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -99.62 -148.08 0.35 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.637 -1.165 . . . . 1.61 108.815 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -52.37 130.34 30.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.998 0.427 . . . . 1.3 110.632 174.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.3 tpp -50.37 -31.68 15.38 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.248 -0.887 . . . . 1.29 111.262 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.64 -40.55 65.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.311 -0.859 . . . . 2.26 110.532 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 m -75.49 -41.8 54.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.117 -0.492 . . . . 1.2 110.318 -176.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.498 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.49 -45.32 93.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.789 -0.641 . . . . 0.38 111.357 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.29 -47.41 76.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.356 -0.384 . . . . 0.92 110.956 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -61.88 -39.64 92.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.306 -0.406 . . . . 2.19 110.363 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.62 88.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.31 110.955 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' CD1' HD13 ' A' ' 6' ' ' LEU . 64.5 tp -67.21 -42.15 84.58 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.595 0.712 . . . . 1.03 110.09 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.405 ' HB2' HD13 ' A' ' 28' ' ' LEU . . . -62.83 -52.81 61.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.556 -1.202 . . . . 0.44 110.346 -178.068 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.19 -41.34 96.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.374 -0.83 . . . . 3.41 111.63 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -76.41 -10.32 59.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.335 0.495 . . . . 1.52 112.335 -174.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.6 p -115.72 1.53 13.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.335 0.588 . . . . 0.76 110.27 173.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.0 t0 51.48 43.09 29.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.623 -1.171 . . . . 2.11 111.051 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -104.38 173.72 6.18 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.579 -0.737 . . . . 0.76 109.886 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -110.15 114.97 28.9 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.542 -0.54 . . . . 2.39 109.542 177.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 7.8 mp -109.5 122.46 47.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.108 0.48 . . . . 1.51 110.433 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 tt -106.27 117.57 34.38 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.467 -0.788 . . . . 2.03 109.463 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -150.29 148.07 28.41 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.787 -0.819 . . . . 0.96 108.787 177.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.416 ' HA ' ' HD2' ' A' ' 32' ' ' PRO . 33.3 t -102.63 112.83 65.98 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 116.593 -0.276 . . . . 1.78 110.268 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 31' ' ' SER . 5.5 Cg_endo -47.14 -48.73 14.12 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 123.775 2.983 . . . . 1.37 114.034 -169.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -73.17 -21.98 60.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.91 0.385 . . . . 2.96 111.289 -175.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.32 -5.3 59.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.133 0.42 . . . . 2.22 112.133 -172.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.426 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 26.9 pt -106.56 7.68 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.931 0.396 . . . . 1.09 110.555 175.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.06 6.5 32.3 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 115.646 -0.706 . . . . 1.4 114.124 173.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.37 47.76 68.53 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.711 -0.757 . . . . 1.05 111.888 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 92.3 mt -82.82 157.73 23.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.053 -0.351 . . . . 1.72 110.053 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -96.37 146.19 24.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.053 0.454 . . . . 3.77 110.755 176.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 p -87.97 157.45 18.92 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.597 -0.729 . . . . 0.56 111.395 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.9 m -87.88 126.4 35.01 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.23 -0.656 . . . . 1.54 109.23 174.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.574 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -56.3 101.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.446 0.466 . . . . 0.84 111.659 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tt -117.9 91.74 3.65 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.881 -0.785 . . . . 1.42 108.881 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.537 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 25.7 pttm -119.72 122.8 42.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.389 0.614 . . . . 2.43 110.612 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.45 -162.98 34.22 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.052 -0.819 . . . . 0.37 111.052 -176.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 13.2 ttm180 -105.62 97.64 7.45 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.632 -0.507 . . . . 3.27 109.632 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -137.95 149.33 46.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.212 0.53 . . . . 1.98 111.19 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.99 151.67 46.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.891 -1.05 . . . . 1.86 111.032 175.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.71 -58.91 6.29 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.631 0.253 . . . . 1.18 111.344 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -61.26 -37.54 83.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.318 -0.401 . . . . 2.39 110.705 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.4 t -60.94 -46.68 89.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.167 -0.47 . . . . 1.33 109.849 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.8 m -61.16 -43.67 98.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 1.21 110.675 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.29 -36.66 75.97 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.119 -0.492 . . . . 0.7 110.924 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 97.3 mtt180 -69.23 -51.57 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.218 -0.447 . . . . 3.38 111.081 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.2 mm -70.17 -43.22 79.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 111.942 0.349 . . . . 1.24 111.942 -175.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.17 -53.45 53.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.66 -0.246 . . . . 1.63 110.946 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.4 mp -71.23 -27.23 63.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.585 -0.279 . . . . 2.17 111.409 -176.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 53.4 tt0 -49.13 104.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.062 0.545 . . . . 2.3 111.67 178.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.55 -16.97 12.42 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.992 -0.623 . . . . 1.42 112.898 176.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.0 p -94.04 -10.67 32.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.727 0.299 . . . . 1.25 111.799 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.12 12.74 82.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.508 -0.854 . . . . 1.35 113.079 -177.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.9 mt -96.39 150.92 20.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.287 0.543 . . . . 1.28 110.227 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.495 ' HD3' ' OG ' ' A' ' 76' ' ' SER . 8.0 mpt_? -119.35 135.13 54.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.392 -0.367 . . . . 4.21 110.423 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -100.08 147.45 25.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.063 -0.517 . . . . 1.37 110.511 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.562 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 20.9 mm-40 -128.39 111.37 13.25 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.338 -0.616 . . . . 2.64 109.338 177.198 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.9 tt -103.3 101.52 12.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.674 0.749 . . . . 1.28 110.554 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -119.05 105.49 11.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.347 -0.842 . . . . 2.29 109.665 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.73 -108.07 1.82 Allowed Glycine 0 CA--C 1.518 0.237 0 C-N-CA 121.033 -0.603 . . . . 1.3 112.357 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -112.61 8.8 19.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.275 0.56 . . . . 2.35 110.174 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.7 m -111.17 129.21 56.02 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.626 -0.715 . . . . 0.97 110.649 -176.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.562 ' HA ' ' O ' ' A' ' 65' ' ' GLN . 25.2 t -121.57 123.26 69.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.698 -0.683 . . . . 0.68 109.649 -177.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.525 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 31.4 m -106.05 125.53 51.1 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.519 -0.31 . . . . 0.8 110.349 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.1 t -100.45 95.32 3.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.544 -0.539 . . . . 1.01 109.544 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.0 t -106.33 148.53 27.92 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.802 -0.635 . . . . 1.87 110.768 -176.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.32 108.52 19.9 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.213 -0.449 . . . . 1.72 110.594 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.495 ' OG ' ' HD3' ' A' ' 63' ' ' ARG . 12.3 p -81.2 -29.8 34.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.326 0.584 . . . . 2.81 110.47 177.4 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.06 83.86 5.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.689 -0.687 . . . . 4.62 110.671 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.98 66.59 7.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.14 -0.482 . . . . 5.99 109.882 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 56.62 -151.5 0.41 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.513 -0.767 . . . . 7.46 110.339 -176.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -113.79 -62.04 1.65 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.469 -0.567 . . . . 10.73 109.469 174.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.23 58.78 4.4 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.776 0.672 . . . . 11.5 110.825 175.059 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.023 -1.432 . . . . 12.03 110.873 -178.781 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 120.883 0.373 . . . . 3.75 110.618 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -151.17 143.59 24.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.347 -0.388 . . . . 3.34 110.371 -177.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -105.29 156.7 17.89 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.805 -0.443 . . . . 1.99 109.805 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.521 ' HZ3' ' H ' ' A' ' 49' ' ' LEU . 22.2 m-90 -130.45 157.68 41.96 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.221 -0.445 . . . . 1.17 109.88 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 p -89.01 97.62 11.3 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 108.354 -0.98 . . . . 1.13 108.354 171.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.675 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 78.3 mt -111.0 111.48 22.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.485 -0.78 . . . . 0.75 110.887 -170.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.625 ' HA ' ' CB ' ' A' ' 44' ' ' LYS . 22.1 m-20 -95.07 100.66 12.45 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.355 -0.609 . . . . 2.12 109.355 174.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.434 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 47.0 mm -101.7 118.47 59.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.94 -0.573 . . . . 0.91 110.443 -177.339 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.6 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 35.9 Cg_exo -60.45 149.64 85.28 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.4 2.733 . . . . 0.35 113.047 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.11 29.38 3.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.52 -0.764 . . . . 0.43 109.862 176.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -97.32 -157.6 0.6 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.874 -1.057 . . . . 1.61 108.87 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.3 m -55.35 143.57 28.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.993 0.425 . . . . 1.3 110.594 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.1 tpp -50.61 -29.81 11.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.432 -0.804 . . . . 1.29 111.17 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -54.87 -38.79 67.96 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.028 -0.533 . . . . 2.26 111.054 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.7 t -79.01 -43.66 23.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.113 0.482 . . . . 1.2 109.749 -176.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.6 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -60.59 -48.53 81.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.56 -0.745 . . . . 0.38 111.748 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.71 -48.02 83.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.402 -0.363 . . . . 0.92 111.417 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -65.55 -34.75 78.98 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.183 -0.207 . . . . 2.19 111.521 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.19 92.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.941 0.4 . . . . 0.31 110.498 176.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.83 -39.5 87.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 1.03 110.422 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.527 ' HB2' HD13 ' A' ' 28' ' ' LEU . . . -62.61 -46.07 89.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.424 -0.807 . . . . 0.44 110.249 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -62.68 -40.64 97.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.183 -0.917 . . . . 3.41 111.311 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.407 HE21 ' HB2' ' A' ' 23' ' ' GLN . 20.2 mt-30 -80.07 -20.88 44.14 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.114 0.783 . . . . 1.52 113.114 -172.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.0 p -118.42 7.1 11.84 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.471 -0.491 . . . . 0.76 112.165 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.5 t70 51.59 46.85 25.88 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.577 -0.738 . . . . 2.11 111.046 -178.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 p -113.39 161.68 17.0 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.955 -0.566 . . . . 0.76 111.207 -177.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -105.34 124.3 49.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.551 -0.537 . . . . 2.39 109.551 176.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.597 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 10.3 mp -115.15 124.19 50.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.359 0.599 . . . . 1.51 110.752 -177.099 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -107.23 116.25 31.6 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.25 -0.886 . . . . 2.03 109.097 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -148.16 144.72 27.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.955 0.407 . . . . 0.96 111.053 -175.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.564 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 7.3 m -104.69 118.66 55.88 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.826 -0.625 . . . . 1.78 109.56 176.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.09 -35.98 83.52 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.392 2.728 . . . . 1.37 112.981 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.8 -28.82 62.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.33 0.586 . . . . 2.96 110.559 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.564 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 28.4 t70 -92.21 -1.63 57.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.511 -0.768 . . . . 2.22 110.597 -168.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.442 HG13 ' H ' ' A' ' 37' ' ' GLY . 35.0 pt -109.07 -8.48 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.971 -0.559 . . . . 1.09 110.321 176.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.74 10.72 80.39 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 116.042 -0.526 . . . . 1.4 114.156 173.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.442 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 62.17 39.45 97.68 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.973 -0.632 . . . . 1.05 112.537 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.3 mt -79.27 159.79 27.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.63 0.253 . . . . 1.72 110.688 -177.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -108.72 148.17 30.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.984 0.421 . . . . 3.77 110.159 176.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 p -90.35 159.9 16.38 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.726 -0.67 . . . . 0.56 110.466 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 t -89.29 147.12 24.28 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.773 -0.825 . . . . 1.54 108.773 173.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.98 101.86 0.05 Allowed 'General case' 0 C--O 1.233 0.186 0 O-C-N 123.507 0.504 . . . . 0.84 111.568 -176.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 tp -122.56 82.91 2.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.29 -0.633 . . . . 1.42 109.29 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.675 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 17.7 pttp -130.69 111.24 12.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.772 0.796 . . . . 2.43 110.982 -176.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.74 -159.47 30.92 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 114.908 -1.042 . . . . 0.37 110.686 -170.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 46' ' ' ARG . 26.2 mtp180 -85.42 106.39 16.74 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.686 -0.857 . . . . 3.27 108.686 176.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -135.29 143.3 46.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.011 0.434 . . . . 1.98 110.841 -174.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -80.09 146.61 31.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.379 -0.828 . . . . 1.86 109.464 172.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.521 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 62.5 tp -58.04 -57.53 12.42 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.645 0.259 . . . . 1.18 111.117 -173.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -58.69 -41.05 85.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.921 -0.581 . . . . 2.39 110.609 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.425 ' O ' HG13 ' A' ' 55' ' ' ILE . 22.4 m -61.87 -43.79 98.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.723 -0.671 . . . . 1.33 111.165 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 m -59.81 -43.58 94.42 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.848 0.356 . . . . 1.21 110.716 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.92 -42.56 97.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.796 -0.638 . . . . 0.7 110.506 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 51.6 ttp180 -64.1 -47.17 81.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.904 -0.589 . . . . 3.38 110.987 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 51' ' ' SER . 81.4 mt -61.07 -57.01 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.595 0.236 . . . . 1.24 111.28 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.44 -46.95 86.19 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.325 0.491 . . . . 1.63 112.325 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.424 HD22 ' HB3' ' A' ' 64' ' ' TYR . 7.1 mp -99.11 17.78 18.99 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.279 0.474 . . . . 2.17 112.279 -174.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 36.3 tt0 -52.39 -59.49 4.36 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.933 0.397 . . . . 2.3 111.894 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.66 34.0 4.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.399 -0.905 . . . . 1.42 112.792 -175.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.6 p -89.81 -4.71 57.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.792 0.296 . . . . 1.25 111.724 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.36 6.05 86.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 1.35 112.338 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.7 mt -102.11 165.87 10.92 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.901 -0.407 . . . . 1.28 109.901 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -110.02 125.78 53.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.29 -0.414 . . . . 4.21 110.267 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.424 ' HB3' HD22 ' A' ' 57' ' ' LEU . 12.3 p90 -100.09 116.17 31.49 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.156 -0.683 . . . . 1.37 109.156 170.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.599 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 28.8 tt0 -113.35 111.22 21.63 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.537 -0.756 . . . . 2.64 110.567 -177.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.2 tt -108.72 128.03 64.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.102 0.477 . . . . 1.28 110.447 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -143.57 116.44 8.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.836 -0.62 . . . . 2.29 109.389 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.87 -108.96 2.48 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.9 -0.666 . . . . 1.3 111.508 -174.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -123.31 19.15 9.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.434 0.635 . . . . 2.35 109.654 175.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.1 m -109.8 132.97 53.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.23 -0.895 . . . . 0.97 110.006 179.27 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.597 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 22.8 t -118.6 129.0 75.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.88 -0.6 . . . . 0.68 109.729 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.599 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 6.3 m -114.66 123.89 50.45 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.859 -0.423 . . . . 0.8 109.859 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.6 t -112.53 102.12 13.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.063 0.459 . . . . 1.01 110.118 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.3 t -136.87 150.05 48.03 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.861 -0.608 . . . . 1.87 110.216 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.37 157.93 34.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.021 0.439 . . . . 1.72 110.949 178.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.0 m -69.38 -28.89 66.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.723 -0.671 . . . . 2.81 110.833 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 47.53 72.94 0.22 Allowed 'General case' 0 N--CA 1.465 0.305 0 O-C-N 124.058 0.849 . . . . 4.62 111.898 174.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.06 -38.64 43.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.231 -0.441 . . . . 5.99 110.432 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 80' ' ' LYS . . . -148.08 139.19 23.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.171 -0.468 . . . . 7.46 110.519 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 79' ' ' ALA . 44.2 mtpt 72.09 144.1 0.06 Allowed 'General case' 0 N--CA 1.467 0.392 0 O-C-N 124.06 0.85 . . . . 10.73 112.206 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -92.28 80.11 5.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.506 -0.77 . . . . 11.5 109.101 173.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 119.035 -0.87 . . . . 12.03 111.306 -175.918 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.827 0.346 . . . . 3.75 110.181 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.1 tp60 -71.9 87.99 1.03 Allowed 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.744 -0.836 . . . . 3.34 108.744 171.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -111.39 162.73 14.74 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.757 -0.656 . . . . 1.99 110.349 -172.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.548 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 26.3 m-90 -134.82 158.59 43.81 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.925 -0.58 . . . . 1.17 109.681 -177.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 m -100.69 98.2 8.77 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.989 -1.115 . . . . 1.13 107.989 174.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.576 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 78.5 mt -97.4 127.05 43.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.956 -0.565 . . . . 0.75 111.713 -168.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.546 ' HA ' ' HD3' ' A' ' 44' ' ' LYS . 50.7 t0 -98.5 97.53 8.84 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.74 -0.837 . . . . 2.12 108.74 173.409 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.497 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 44.9 mm -103.61 124.26 38.57 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.156 -0.474 . . . . 0.91 110.593 -176.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.666 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 35.4 Cg_exo -62.24 155.76 54.79 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 123.344 2.696 . . . . 0.35 112.721 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -108.74 19.85 19.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.589 0.709 . . . . 0.43 109.93 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -98.8 -157.79 0.63 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.085 -0.962 . . . . 1.61 109.327 178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.5 t -49.7 132.43 21.78 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.819 0.342 . . . . 1.3 110.389 178.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.463 ' HG2' ' HG ' ' A' ' 17' ' ' LEU . 51.6 ttm -53.58 -22.77 9.13 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.572 -0.74 . . . . 1.29 111.271 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -50.47 -48.71 56.56 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.7 -0.682 . . . . 2.26 110.69 172.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.0 m -75.67 -36.15 60.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.942 0.401 . . . . 1.2 110.558 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.666 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.7 -53.47 53.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 0.38 112.387 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.463 ' HG ' ' HG2' ' A' ' 13' ' ' MET . 91.1 mt -64.17 -41.82 96.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.756 0.312 . . . . 0.92 110.971 -176.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -64.46 -34.26 77.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.395 -0.366 . . . . 2.19 110.866 177.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.04 -43.53 82.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.444 -0.344 . . . . 0.31 110.841 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.66 -40.29 95.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 1.03 110.65 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.788 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -62.47 -52.58 62.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.279 -0.873 . . . . 0.44 110.411 -177.063 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -64.44 -30.38 71.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.36 -0.836 . . . . 3.41 111.73 -176.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -79.61 -22.67 43.36 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.085 0.402 . . . . 1.52 112.085 -176.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.0 p -116.98 10.48 14.02 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.937 -0.305 . . . . 0.76 111.589 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 56.67 35.74 26.61 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.739 -0.664 . . . . 2.11 110.967 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.433 ' OG1' ' HA ' ' A' ' 21' ' ' ALA . 18.2 p -105.84 177.9 4.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.136 0.493 . . . . 0.76 111.66 -175.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -123.56 126.02 45.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.499 -0.773 . . . . 2.39 109.898 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.788 HD23 ' HB2' ' A' ' 21' ' ' ALA . 3.4 mm? -105.95 120.55 42.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.747 0.308 . . . . 1.51 110.572 179.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.3 mt -108.2 110.29 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.536 -0.542 . . . . 2.03 109.536 175.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -156.27 163.42 39.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.319 -0.401 . . . . 0.96 110.318 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.433 ' HB2' ' OD2' ' A' ' 34' ' ' ASP . 14.0 m -121.23 140.96 32.08 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 109.368 -0.604 . . . . 1.78 109.368 175.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.488 ' HA ' HG12 ' A' ' 35' ' ' ILE . 31.6 Cg_exo -59.5 -22.24 65.51 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.956 2.437 . . . . 1.37 112.475 -177.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -73.89 -14.52 61.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.987 -0.551 . . . . 2.96 111.461 178.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' OD2' ' HB2' ' A' ' 31' ' ' SER . 38.3 m-20 -91.81 -16.4 26.84 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.107 0.48 . . . . 2.22 109.713 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.739 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 26.8 pt -107.18 -11.78 10.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.776 -0.647 . . . . 1.09 110.805 -173.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.3 5.73 29.86 Favored Glycine 0 CA--C 1.52 0.384 0 CA-C-N 116.24 -0.436 . . . . 1.4 113.937 173.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.667 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 66.56 35.92 90.66 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.932 -0.651 . . . . 1.05 112.473 -178.326 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 2.6 pp -103.4 170.18 8.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.026 0.441 . . . . 1.72 110.722 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -93.7 139.2 31.09 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.841 -0.618 . . . . 3.77 110.581 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.4 p -88.04 168.25 12.98 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.238 -0.892 . . . . 0.56 110.953 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.7 m -86.72 129.33 34.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.884 -0.598 . . . . 1.54 109.632 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -57.08 103.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.8 -0.636 . . . . 0.84 111.222 -177.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.55 84.22 2.15 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.161 -0.681 . . . . 1.42 109.161 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 19.9 ttpt -114.67 103.87 11.42 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.85 -0.614 . . . . 2.43 110.288 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.29 -163.51 21.29 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 115.292 -0.867 . . . . 0.37 111.123 -177.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.548 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 39.9 ttm180 -124.18 103.94 8.55 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.912 0.387 . . . . 3.27 110.396 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -141.14 171.51 13.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.789 -0.641 . . . . 1.98 109.591 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -70.05 170.12 12.05 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.945 -0.391 . . . . 1.86 109.945 172.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 60.7 tp -59.25 -58.09 10.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.778 0.323 . . . . 1.18 110.719 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -62.1 -35.48 78.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.911 -0.586 . . . . 2.39 110.928 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.465 ' O ' HG12 ' A' ' 55' ' ' ILE . 44.8 t -62.14 -51.78 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.859 -0.61 . . . . 1.33 110.427 178.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -60.96 -41.44 96.35 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.182 -0.463 . . . . 1.21 111.105 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 97.0 mt -57.77 -46.05 85.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.505 . . . . 0.7 111.471 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -67.08 -47.36 71.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.406 . . . . 3.38 111.08 -175.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 51' ' ' SER . 45.8 mm -60.49 -30.07 45.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.283 -0.417 . . . . 1.24 111.358 -176.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.408 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.9 tt -84.5 -62.92 1.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.297 -0.41 . . . . 1.63 111.331 -177.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 64' ' ' TYR . 8.5 mp -70.47 -29.97 66.66 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.878 0.695 . . . . 2.17 112.878 -169.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -49.72 -46.31 50.08 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.956 0.408 . . . . 2.3 111.387 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.77 -27.54 73.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.89 -0.671 . . . . 1.42 112.798 -176.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.9 p -92.89 17.75 10.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.309 0.485 . . . . 1.25 112.309 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.72 40.98 95.6 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 121.328 -0.463 . . . . 1.35 113.933 174.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.5 mt -127.82 164.22 22.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.996 0.398 . . . . 1.28 110.217 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -113.23 127.34 56.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.015 -0.365 . . . . 4.21 110.015 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.461 ' HB3' HD22 ' A' ' 57' ' ' LEU . 17.7 p90 -100.6 120.15 39.61 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.172 0.511 . . . . 1.37 110.374 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.423 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 33.7 tt0 -103.91 110.46 22.6 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.803 -0.443 . . . . 2.64 109.803 171.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.9 tt -100.56 123.7 53.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.1 -0.5 . . . . 1.28 110.426 -177.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -136.85 105.52 5.84 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.608 -0.516 . . . . 2.29 109.608 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.26 -109.97 3.15 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.988 -0.625 . . . . 1.3 112.255 -174.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -112.91 7.76 18.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.186 0.517 . . . . 2.35 109.663 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.2 m -107.48 130.82 54.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.462 -0.79 . . . . 0.97 110.429 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.543 ' HB ' HD13 ' A' ' 28' ' ' LEU . 40.0 t -117.89 125.3 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.152 -0.477 . . . . 0.68 109.732 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.423 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 19.3 m -108.34 116.8 32.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.322 -0.399 . . . . 0.8 110.212 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.4 t -88.21 115.69 28.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.178 -0.465 . . . . 1.01 110.089 179.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.1 m -108.56 135.95 48.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.913 -0.585 . . . . 1.87 110.142 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.5 128.03 34.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.837 0.351 . . . . 1.72 110.226 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.3 m -63.16 131.43 48.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.666 -0.697 . . . . 2.81 111.557 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -179.93 24.92 0.0 OUTLIER 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.882 0.739 . . . . 4.62 110.662 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.43 2.36 20.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.085 0.402 . . . . 5.99 112.085 -176.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 62.68 20.22 11.91 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.101 0.476 . . . . 7.46 111.459 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.526 ' HB2' ' NZ ' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -170.57 54.39 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.041 -1.096 . . . . 10.73 108.041 177.279 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -86.08 110.06 19.26 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.877 -1.056 . . . . 11.5 110.958 -168.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.857 0 CA-C-O 118.786 -1.008 . . . . 12.03 111.809 176.918 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.073 -0.343 . . . . 3.75 110.073 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -59.41 115.82 3.52 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.018 0.437 . . . . 3.34 109.836 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.506 ' HB3' ' HG2' ' A' ' 46' ' ' ARG . 40.7 mt-10 -100.22 152.44 20.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.851 -0.613 . . . . 1.99 110.098 -178.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.481 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 20.5 m-90 -127.94 153.52 46.6 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.787 -0.642 . . . . 1.17 109.613 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.5 m -91.06 97.67 11.31 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.293 -1.003 . . . . 1.13 108.293 174.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.518 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 89.2 mt -95.42 107.73 19.89 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.883 -0.599 . . . . 0.75 110.881 -173.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -93.25 97.71 10.8 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.653 -0.869 . . . . 2.12 108.653 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 44.6 mm -107.51 119.45 50.6 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.492 -0.776 . . . . 0.91 110.502 -175.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.596 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 31.4 Cg_exo -60.9 145.38 99.13 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.093 2.528 . . . . 0.35 113.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -97.2 27.28 4.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.389 -0.823 . . . . 0.43 109.953 176.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -93.8 -155.21 0.44 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.98 -1.009 . . . . 1.61 109.047 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 m -53.2 137.75 33.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.079 0.466 . . . . 1.3 110.353 175.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.446 ' HB3' HD12 ' A' ' 35' ' ' ILE . 58.5 tpp -47.96 -31.56 5.42 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.073 -0.967 . . . . 1.29 111.924 -178.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -56.67 -41.65 77.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.965 -0.561 . . . . 2.26 111.864 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 m -72.03 -40.91 68.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.99 0.424 . . . . 1.2 110.156 -176.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.596 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.75 -50.79 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.652 -0.703 . . . . 0.38 111.784 -179.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.16 -39.88 86.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.471 -0.331 . . . . 0.92 111.118 -176.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -62.98 -36.59 84.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.175 0.512 . . . . 2.19 110.468 176.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.85 91.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.811 -0.631 . . . . 0.31 110.514 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.573 HD23 HD21 ' A' ' 28' ' ' LEU . 59.6 tp -66.1 -38.89 89.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.221 0.534 . . . . 1.03 110.014 -179.27 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.61 -48.12 82.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.354 -0.839 . . . . 0.44 110.387 -177.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -66.11 -46.27 78.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.88 -1.054 . . . . 3.41 111.47 177.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.84 -42.16 99.63 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.19 0.811 . . . . 1.52 113.19 -173.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 p -109.93 8.96 24.48 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.428 -0.509 . . . . 0.76 112.334 -174.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.6 t70 54.28 59.29 4.28 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.817 0.818 . . . . 2.11 110.532 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.12 159.82 39.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.912 -0.585 . . . . 0.76 109.881 -178.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -106.36 125.72 51.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.874 -0.417 . . . . 2.39 109.874 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.75 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 8.7 mp -116.19 123.64 48.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.29 -0.414 . . . . 1.51 110.332 -177.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 29' ' ' LEU . 3.9 mm? -108.59 119.33 39.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.044 -0.526 . . . . 2.03 110.057 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.577 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 49.9 p90 -151.67 151.86 32.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.078 -0.51 . . . . 0.96 110.186 179.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.585 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 4.1 m -96.69 118.84 64.77 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.026 -0.534 . . . . 1.78 109.654 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 31' ' ' SER . 32.4 Cg_exo -58.97 -28.83 88.88 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.036 2.49 . . . . 1.37 112.69 -176.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -75.75 -23.54 56.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.871 -0.604 . . . . 2.96 111.132 177.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.585 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 3.4 m-20 -98.53 -0.18 43.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.74 0.274 . . . . 2.22 111.74 -172.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.527 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 34.3 pt -98.78 6.47 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.873 -0.417 . . . . 1.09 109.873 178.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.23 8.02 21.8 Favored Glycine 0 C--N 1.331 0.265 0 CA-C-N 115.478 -0.783 . . . . 1.4 114.438 172.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.99 36.01 71.67 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 121.088 -0.577 . . . . 1.05 112.344 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 4.1 pp -97.47 166.09 11.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.53 0.205 . . . . 1.72 110.621 -175.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -89.91 142.49 27.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.178 0.513 . . . . 3.77 110.22 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 p -83.38 160.66 21.57 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.46 -0.791 . . . . 0.56 111.923 -174.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.2 t -89.5 103.44 16.08 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.373 -0.973 . . . . 1.54 108.373 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -55.82 118.76 4.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.554 -0.748 . . . . 0.84 112.333 -173.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -104.53 84.74 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.941 -1.133 . . . . 1.42 107.941 173.331 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 59.6 tttp -108.49 102.62 11.69 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.186 -0.916 . . . . 2.43 110.282 -173.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.92 -163.76 34.9 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.562 -0.828 . . . . 0.37 112.422 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.506 ' HG2' ' HB3' ' A' ' 3' ' ' GLU . 20.1 ttp180 -107.93 99.56 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.547 -0.538 . . . . 3.27 109.547 -178.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -139.29 168.21 20.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.868 0.366 . . . . 1.98 111.012 -178.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.54 169.55 17.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.46 -0.791 . . . . 1.86 109.251 171.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.14 -58.7 7.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.768 0.318 . . . . 1.18 110.876 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -64.99 -30.98 72.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 2.39 112.029 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -60.85 -50.81 71.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.247 0.546 . . . . 1.33 109.912 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 m -61.89 -45.24 94.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.505 -0.771 . . . . 1.21 110.825 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.556 HD13 HD11 ' A' ' 66' ' ' ILE . 13.4 mt -55.88 -48.68 75.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.083 -0.508 . . . . 0.7 111.844 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -60.53 -49.03 79.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.399 -0.364 . . . . 3.38 111.409 -177.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.5 mt -72.83 -34.45 46.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.754 0.312 . . . . 1.24 111.459 -174.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 tt -71.12 -49.68 41.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.516 -0.311 . . . . 1.63 110.696 -177.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.893 ' HG ' ' HB3' ' A' ' 64' ' ' TYR . 4.5 mm? -77.02 -36.89 55.89 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.188 0.44 . . . . 2.17 112.188 -173.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -50.0 110.09 0.36 Allowed 'General case' 0 C--O 1.236 0.362 0 O-C-N 123.219 0.324 . . . . 2.3 111.616 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.64 65.73 1.49 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.986 -0.626 . . . . 1.42 112.234 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.8 p -144.43 -33.59 0.39 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.005 0.431 . . . . 1.25 110.898 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 112.14 -15.8 25.38 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.685 -0.966 . . . . 1.35 110.685 -173.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 79.6 mt -108.44 154.46 21.85 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.067 -0.345 . . . . 1.28 110.067 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -118.63 137.35 53.34 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.881 -0.414 . . . . 4.21 109.881 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.893 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 16.9 p90 -100.18 118.26 36.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.353 0.597 . . . . 1.37 110.929 -178.208 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.54 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 16.5 mm100 -108.82 134.14 51.92 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.687 -0.688 . . . . 2.64 109.983 173.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.556 HD11 HD13 ' A' ' 53' ' ' LEU . 57.5 mt -108.23 106.71 21.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.174 0.512 . . . . 1.28 109.753 177.23 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -114.41 105.39 13.06 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.281 -0.637 . . . . 2.29 109.281 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.79 -110.91 3.77 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.061 -0.59 . . . . 1.3 112.161 -174.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -114.03 23.77 12.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.79 0.805 . . . . 2.35 109.053 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.0 m -118.81 137.52 53.34 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.952 -1.022 . . . . 0.97 110.497 -173.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.75 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 34.3 t -108.46 117.53 54.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.089 -0.708 . . . . 0.68 109.089 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.54 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 19.2 m -104.45 113.1 26.44 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.8 0.333 . . . . 0.8 110.139 -177.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.577 ' HB ' ' HB3' ' A' ' 30' ' ' TYR . 39.9 t -95.39 98.12 7.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.843 -0.617 . . . . 1.01 109.414 178.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.8 t -114.16 146.92 39.68 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.712 -0.676 . . . . 1.87 109.898 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.418 ' HB3' ' HB2' ' A' ' 78' ' ' ALA . . . -67.23 134.51 51.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.615 -0.266 . . . . 1.72 110.786 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.0 m -64.3 107.88 1.45 Allowed 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.474 -0.565 . . . . 2.81 109.474 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 62.33 57.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.423 -0.808 . . . . 4.62 109.917 -173.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -57.59 -61.02 2.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.471 -0.786 . . . . 5.99 110.97 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 52.1 60.29 3.93 Favored 'General case' 0 C--O 1.232 0.171 0 O-C-N 123.595 0.56 . . . . 7.46 111.412 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -89.06 95.59 10.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.337 -0.392 . . . . 10.73 110.64 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 60.58 -93.18 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.394 -0.821 . . . . 11.5 111.506 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.254 -1.303 . . . . 12.03 111.229 -178.039 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.731 0.3 . . . . 3.75 111.202 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -99.72 81.29 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.108 0.48 . . . . 3.34 110.61 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -119.96 152.48 37.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.976 0.417 . . . . 1.99 111.068 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.629 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 23.6 m-90 -126.35 153.51 44.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.595 -0.73 . . . . 1.17 109.593 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.0 m -89.62 99.16 12.22 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.43 -0.582 . . . . 1.13 109.43 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.629 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 26.6 mt -106.09 110.08 22.22 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.674 -0.694 . . . . 0.75 110.963 -172.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -93.53 98.58 11.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.246 -0.65 . . . . 2.12 109.246 172.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.469 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 40.8 mm -100.38 123.01 47.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.813 0.339 . . . . 0.91 111.237 -176.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.767 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 34.4 Cg_exo -64.35 162.16 31.55 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.599 2.866 . . . . 0.35 113.443 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -113.15 31.58 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.781 0.8 . . . . 0.43 109.794 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -103.41 -151.89 0.44 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.709 -1.132 . . . . 1.61 109.717 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 m -54.38 132.48 44.24 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.043 -0.526 . . . . 1.3 110.213 173.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.1 tpp -48.46 -32.13 7.33 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 114.907 -1.042 . . . . 1.29 111.516 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -53.46 -42.64 67.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.773 -0.648 . . . . 2.26 111.226 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.4 m -74.38 -41.54 60.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.937 0.399 . . . . 1.2 110.43 -176.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.767 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.12 -44.84 95.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.898 -0.592 . . . . 0.38 111.38 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.89 -46.99 73.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.258 -0.428 . . . . 0.92 111.279 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.63 -35.78 78.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 2.19 110.573 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.97 90.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.31 110.676 176.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.611 HD21 HD11 ' A' ' 53' ' ' LEU . 47.0 tp -64.58 -38.05 89.67 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.339 0.59 . . . . 1.03 109.673 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.04 99.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.754 -1.112 . . . . 0.44 109.96 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -61.12 -40.96 95.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.599 -0.728 . . . . 3.41 111.089 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.45 -35.08 78.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.082 -0.508 . . . . 1.52 112.313 -177.321 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.472 HG21 HD13 ' A' ' 49' ' ' LEU . 12.6 p -117.08 3.93 12.73 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.666 0.617 . . . . 0.76 112.666 -173.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.38 37.55 29.05 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.333 0.587 . . . . 2.11 110.995 -175.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.0 p -98.92 157.11 16.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.665 -0.698 . . . . 0.76 111.101 -176.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -103.59 120.74 41.49 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.72 -0.673 . . . . 2.39 109.762 176.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.551 ' CD2' ' HB ' ' A' ' 71' ' ' VAL . 63.4 mt -104.61 121.04 42.7 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.088 -0.506 . . . . 1.51 109.753 -177.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -97.25 109.14 21.95 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.321 -0.622 . . . . 2.03 109.321 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.57 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 32.1 p90 -163.63 163.36 24.42 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.413 -0.812 . . . . 0.96 109.201 -177.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.449 ' HB2' ' OD2' ' A' ' 34' ' ' ASP . 48.7 m -126.43 116.28 23.16 Favored Pre-proline 0 C--N 1.316 -0.879 0 CA-C-O 120.907 0.384 . . . . 1.78 110.462 178.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 31' ' ' SER . 31.7 Cg_exo -59.83 -18.94 51.97 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.218 2.612 . . . . 1.37 112.298 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -71.41 -37.09 71.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.792 -0.64 . . . . 2.96 109.958 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.449 ' OD2' ' HB2' ' A' ' 31' ' ' SER . 83.2 m-20 -72.12 -18.22 61.92 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.65 -0.704 . . . . 2.22 112.056 -177.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.61 HG13 ' H ' ' A' ' 37' ' ' GLY . 36.9 pt -99.35 -10.66 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.739 -0.384 . . . . 1.09 111.137 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.96 16.26 61.55 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 121.176 -0.535 . . . . 1.4 113.337 176.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.61 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 79.11 65.52 1.8 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.723 -0.751 . . . . 1.05 112.613 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.9 mt -86.04 154.3 21.52 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.04 -0.356 . . . . 1.72 110.04 176.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -96.7 142.0 29.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.89 0.376 . . . . 3.77 110.037 173.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.6 p -89.12 155.1 19.65 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.856 -0.611 . . . . 0.56 111.229 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.6 t -88.63 131.3 35.04 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.082 -0.71 . . . . 1.54 109.082 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.29 100.73 0.07 Allowed 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.649 0.593 . . . . 0.84 111.722 -177.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.3 mt -118.09 84.26 2.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.844 -0.616 . . . . 1.42 109.759 175.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 45.2 pttt -116.62 116.32 27.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.553 0.692 . . . . 2.43 111.197 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.82 -163.0 33.94 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 114.896 -1.047 . . . . 0.37 111.054 -176.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.629 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 9.8 ptm180 -120.41 113.02 19.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.967 0.383 . . . . 3.27 110.596 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -155.31 -179.88 8.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.719 0.295 . . . . 1.98 111.148 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -67.58 144.56 55.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.436 -0.802 . . . . 1.86 111.031 178.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.472 HD13 HG21 ' A' ' 24' ' ' THR . 44.1 tp -60.33 -60.12 4.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.596 0.236 . . . . 1.18 110.888 -176.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.734 ' HG3' ' HE2' ' A' ' 64' ' ' TYR . 63.4 tt0 -57.76 -34.69 69.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.205 0.526 . . . . 2.39 110.581 -177.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.7 t -64.38 -46.1 84.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.38 -0.827 . . . . 1.33 111.268 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.9 p -62.5 -48.2 80.62 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 111.406 0.15 . . . . 1.21 111.406 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.611 HD11 HD21 ' A' ' 20' ' ' LEU . 6.3 mp -59.57 -30.6 68.76 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.627 0.251 . . . . 0.7 111.277 176.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 57.8 ttp180 -61.75 -35.99 79.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.516 -0.311 . . . . 3.38 110.339 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.1 mt -74.18 -50.11 29.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.994 0.426 . . . . 1.24 110.665 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.96 -51.23 60.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.703 -0.68 . . . . 1.63 111.265 -173.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.493 ' HA ' ' OG1' ' A' ' 60' ' ' THR . 10.2 mp -72.93 -26.97 61.58 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.011 -0.276 . . . . 2.17 111.439 -175.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.556 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 62.3 tt0 -45.1 -49.97 11.41 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.352 0.408 . . . . 2.3 111.811 172.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.56 -20.71 73.87 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.812 -0.708 . . . . 1.42 113.031 -175.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.493 ' OG1' ' HA ' ' A' ' 57' ' ' LEU . 12.2 p -99.56 5.27 46.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.665 0.269 . . . . 1.25 111.718 -176.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.34 26.96 59.94 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 121.375 -0.44 . . . . 1.35 113.355 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.87 161.88 13.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.082 0.468 . . . . 1.28 110.974 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -121.35 149.62 42.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.741 -0.663 . . . . 4.21 109.969 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.734 ' HE2' ' HG3' ' A' ' 50' ' ' GLN . 9.2 p90 -131.35 125.37 32.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.283 0.563 . . . . 1.37 110.809 -178.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.506 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 67.0 mt-30 -104.45 119.24 38.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.334 -0.848 . . . . 2.64 109.185 175.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.406 HG12 HG22 ' A' ' 71' ' ' VAL . 18.5 mt -111.28 120.9 62.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.273 0.559 . . . . 1.28 111.013 -177.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -134.6 103.47 5.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.386 -0.824 . . . . 2.29 109.476 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.27 -101.68 0.85 Allowed Glycine 0 C--N 1.328 0.119 0 C-N-CA 121.06 -0.591 . . . . 1.3 112.065 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -122.5 18.43 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.062 -0.718 . . . . 2.35 109.062 174.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.8 m -110.0 118.98 37.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.253 -0.885 . . . . 0.97 109.775 -176.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.551 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 23.9 t -122.46 129.3 75.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.982 0.42 . . . . 0.68 110.321 -177.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 8.7 m -106.91 113.68 27.31 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.344 -0.389 . . . . 0.8 110.428 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.57 ' HB ' ' HB3' ' A' ' 30' ' ' TYR . 38.4 t -92.93 94.63 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.356 -0.609 . . . . 1.01 109.356 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.8 t -113.24 146.57 39.1 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.781 -0.645 . . . . 1.87 110.616 -174.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.18 140.88 31.43 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.164 -0.471 . . . . 1.72 110.164 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 m -71.74 94.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.068 0.461 . . . . 2.81 110.313 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -146.32 58.05 1.2 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.993 -0.549 . . . . 4.62 110.341 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.71 136.1 57.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.577 -0.738 . . . . 5.99 110.607 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.42 131.37 46.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.211 -0.449 . . . . 7.46 110.333 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -62.0 142.61 57.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.267 -0.424 . . . . 10.73 110.687 -177.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -142.85 88.25 2.04 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.178 -0.675 . . . . 11.5 109.178 177.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.922 -0.932 . . . . 12.03 111.315 -177.567 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.998 0.428 . . . . 3.75 110.772 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -90.98 60.64 4.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.667 0.746 . . . . 3.34 109.826 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -100.7 154.92 18.21 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.998 -1.001 . . . . 1.99 108.765 177.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.568 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 15.2 m-90 -134.56 160.94 36.48 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.501 -0.318 . . . . 1.17 110.365 -175.266 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.4 m -94.82 97.98 10.42 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.012 -1.107 . . . . 1.13 108.012 172.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.727 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 83.7 mt -104.42 117.57 34.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.719 -0.673 . . . . 0.75 111.072 -171.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -98.17 107.3 19.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.223 -0.444 . . . . 2.12 110.273 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.507 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 1.7 mp -101.88 125.75 36.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.249 -0.432 . . . . 0.91 110.091 178.305 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.945 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 29.9 Cg_exo -64.88 161.25 37.25 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.687 2.925 . . . . 0.35 113.759 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.44 33.64 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.308 -0.86 . . . . 0.43 109.714 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 65.8 mt-30 -96.4 -164.99 1.21 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.146 -0.934 . . . . 1.61 108.81 177.481 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.5 m -55.98 144.42 28.65 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.558 -0.534 . . . . 1.3 109.558 169.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.46 ' HB3' HD12 ' A' ' 35' ' ' ILE . 52.2 tpp -49.78 -23.53 1.88 Allowed 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.643 0.777 . . . . 1.29 111.626 -179.05 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -55.19 -47.37 75.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 2.26 110.783 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.4 m -76.56 -36.92 57.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.572 -0.285 . . . . 1.2 110.556 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.945 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -57.33 -52.27 66.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.243 -0.435 . . . . 0.38 111.336 177.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.34 -32.87 70.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.418 -0.355 . . . . 0.92 110.72 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -62.29 -48.72 78.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.484 . . . . 2.19 110.385 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 23' ' ' GLN . . . -65.52 -34.31 77.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.865 -0.607 . . . . 0.31 110.476 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.3 tp -66.62 -41.53 88.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.97 0.414 . . . . 1.03 110.173 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.95 85.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.543 -0.753 . . . . 0.44 110.155 -175.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.792 ' HE2' ' HA ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -65.9 -25.67 67.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.852 -1.067 . . . . 3.41 110.896 178.865 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 6.7 tt0 -93.53 -25.42 17.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.74 0.644 . . . . 1.52 112.74 -168.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.1 p -117.2 -0.51 12.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.76 111.612 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.3 t70 58.01 44.16 19.96 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.457 -0.792 . . . . 2.11 110.447 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.04 167.52 10.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.96 -0.564 . . . . 0.76 109.825 -178.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -98.17 117.32 32.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.915 0.388 . . . . 2.39 109.964 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.55 HD13 ' HB ' ' A' ' 71' ' ' VAL . 4.4 mm? -108.19 114.9 29.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.85 -0.614 . . . . 1.51 110.678 -177.213 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -106.4 113.31 26.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 2.03 109.521 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -141.95 143.06 33.05 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.202 -0.454 . . . . 0.96 110.42 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.664 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 14.5 m -102.04 114.97 65.33 Favored Pre-proline 0 C--N 1.315 -0.908 0 CA-C-N 115.764 -0.653 . . . . 1.78 109.958 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -56.95 -41.23 77.52 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.604 2.869 . . . . 1.37 113.333 -174.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.491 ' OE2' ' HB3' ' A' ' 31' ' ' SER . 0.0 OUTLIER -78.29 -22.82 47.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.544 -0.298 . . . . 2.96 111.183 -179.84 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.664 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 33.0 t70 -83.99 -26.41 29.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.829 0.347 . . . . 2.22 110.671 -177.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.507 HG13 ' H ' ' A' ' 37' ' ' GLY . 27.3 pt -96.84 -3.23 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.368 -0.378 . . . . 1.09 110.468 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.3 5.09 33.31 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 115.854 -0.612 . . . . 1.4 113.761 174.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.507 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 62.27 36.62 93.3 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.048 -0.596 . . . . 1.05 112.436 -178.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.91 157.35 36.44 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.909 -0.404 . . . . 1.72 109.909 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.61 ' H ' ' HD2' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -86.54 139.22 31.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.227 0.536 . . . . 3.77 110.598 -178.75 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 p -89.34 155.51 19.31 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.529 -0.76 . . . . 0.56 111.269 -177.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m -89.55 130.8 35.81 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.575 -0.898 . . . . 1.54 108.575 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.21 112.87 0.88 Allowed 'General case' 0 C--O 1.236 0.351 0 O-C-N 123.633 0.583 . . . . 0.84 111.973 -173.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.45 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 1.7 tm? -109.68 92.43 4.05 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.853 -1.166 . . . . 1.42 107.853 174.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.727 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 9.9 ptmt -136.53 118.56 15.35 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.6 0.714 . . . . 2.43 111.978 -176.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.47 -163.83 35.33 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 114.969 -1.014 . . . . 0.37 110.771 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.568 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 20.2 ttt180 -99.29 96.41 7.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.162 0.481 . . . . 3.27 109.815 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -137.78 160.54 38.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.973 -0.558 . . . . 1.98 109.674 -177.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -83.62 168.13 16.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.535 -0.543 . . . . 1.86 109.535 173.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.53 -52.95 63.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.127 0.267 . . . . 1.18 111.405 -175.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -57.24 -49.29 76.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 2.39 111.497 -177.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.428 ' O ' HG12 ' A' ' 55' ' ' ILE . 68.1 m -61.2 -44.2 97.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.437 -0.347 . . . . 1.33 111.365 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.9 m -60.1 -43.55 95.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.713 0.292 . . . . 1.21 110.95 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.98 -43.13 99.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.7 110.917 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -67.47 -48.36 67.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.975 -0.557 . . . . 3.38 111.535 -177.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 51' ' ' SER . 47.1 mm -67.41 -25.77 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.967 0.413 . . . . 1.24 110.831 -178.208 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.593 ' HB3' HD12 ' A' ' 57' ' ' LEU . 2.7 tt -74.72 -55.2 6.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.465 -0.334 . . . . 1.63 110.226 178.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.593 HD12 ' HB3' ' A' ' 56' ' ' LEU . 6.7 mp -95.98 25.52 4.71 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.692 -0.231 . . . . 2.17 111.296 -177.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -50.15 -57.62 7.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 2.3 112.147 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.63 32.19 3.24 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.278 -0.963 . . . . 1.42 112.775 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.9 p -91.82 2.05 56.77 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.242 0.46 . . . . 1.25 112.242 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.81 23.78 72.62 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.871 -0.681 . . . . 1.35 112.925 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.474 ' HB2' HD23 ' A' ' 57' ' ' LEU . 88.4 mt -114.4 161.74 17.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.703 -0.48 . . . . 1.28 109.703 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.983 ' HB2' ' HB3' ' A' ' 76' ' ' SER . 11.6 tpp180 -111.05 124.32 51.94 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.809 0.338 . . . . 4.21 110.367 -179.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.434 ' HB3' HD22 ' A' ' 57' ' ' LEU . 41.0 p90 -103.59 117.03 33.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.887 -0.597 . . . . 1.37 109.854 172.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 36.0 tt0 -106.98 111.68 24.29 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.841 -0.618 . . . . 2.64 109.739 177.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.8 tt -110.8 109.84 29.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.4 0.619 . . . . 1.28 110.317 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -129.52 102.08 6.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.614 -0.721 . . . . 2.29 109.686 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.37 -110.52 3.51 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.753 -0.737 . . . . 1.3 111.785 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -109.35 9.28 25.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.062 0.458 . . . . 2.35 110.537 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.6 m -105.54 121.06 43.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.837 -0.62 . . . . 0.97 110.778 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.55 ' HB ' HD13 ' A' ' 28' ' ' LEU . 44.6 t -120.23 120.32 62.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.437 -0.579 . . . . 0.68 109.437 176.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.0 m -114.14 126.28 54.9 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.77 0.319 . . . . 0.8 110.758 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.484 HG13 HD21 ' A' ' 57' ' ' LEU . 84.6 t -116.1 108.2 24.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 1.01 110.593 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.0 t -141.14 161.43 37.88 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.819 -0.628 . . . . 1.87 109.973 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.77 125.68 25.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.737 0.303 . . . . 1.72 110.926 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.983 ' HB3' ' HB2' ' A' ' 63' ' ' ARG . 12.2 p -85.39 82.01 8.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.097 0.475 . . . . 2.81 111.554 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -116.52 39.8 3.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.775 -0.648 . . . . 4.62 109.696 175.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.47 113.87 11.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.601 -0.727 . . . . 5.99 111.626 -174.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -113.88 105.14 12.91 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.793 -0.64 . . . . 7.46 109.309 177.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.55 19.05 2.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.098 0.475 . . . . 10.73 110.999 -175.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -147.3 14.68 1.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.753 0.787 . . . . 11.5 109.357 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.56 -1.134 . . . . 12.03 111.28 -174.344 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.558 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 20.3 m . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 120.974 0.416 . . . . 3.75 111.61 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -81.06 98.5 8.01 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.994 -1.113 . . . . 3.34 107.994 168.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.453 ' HB3' ' HG2' ' A' ' 46' ' ' ARG . 45.3 mt-10 -108.48 168.08 9.58 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.454 -0.794 . . . . 1.99 111.51 -167.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.588 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 18.6 m-90 -140.0 163.43 32.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.949 -1.023 . . . . 1.17 108.788 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.6 m -96.01 98.78 10.64 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.248 -1.019 . . . . 1.13 108.248 174.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt -87.74 157.11 19.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.436 -0.802 . . . . 0.75 111.297 -172.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -138.15 98.07 3.54 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.371 -0.831 . . . . 2.12 108.796 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.7 HD11 HD13 ' A' ' 20' ' ' LEU . 69.0 mt -117.71 118.0 35.36 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 116.007 -0.542 . . . . 0.91 110.849 -175.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.807 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 42.8 Cg_exo -59.13 165.4 8.83 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 123.763 2.975 . . . . 0.35 113.914 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.594 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -119.06 41.45 3.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.067 -0.97 . . . . 0.43 109.156 177.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -114.75 -151.02 0.47 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.32 -1.309 . . . . 1.61 108.777 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 p -53.15 132.6 38.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.675 0.75 . . . . 1.3 111.305 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.428 ' HB3' HD12 ' A' ' 35' ' ' ILE . 5.5 tpt -47.01 -29.74 2.25 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 114.056 -1.429 . . . . 1.29 111.722 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -53.39 -47.74 69.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.371 -0.832 . . . . 2.26 111.455 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.0 m -76.67 -41.94 43.67 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.775 0.321 . . . . 1.2 110.704 -174.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.807 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -58.4 -51.0 71.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.844 -0.616 . . . . 0.38 111.918 -177.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.5 mt -67.02 -39.92 87.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.467 -0.333 . . . . 0.92 110.494 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -62.38 -37.42 85.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.22 -0.445 . . . . 2.19 110.404 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.2 -41.06 86.44 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.926 -0.579 . . . . 0.31 110.764 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.7 HD13 HD11 ' A' ' 8' ' ' ILE . 62.6 tp -64.66 -31.35 72.53 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.081 0.467 . . . . 1.03 110.133 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.45 -53.8 51.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.223 -0.899 . . . . 0.44 110.942 -177.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -64.48 -40.54 95.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 3.41 111.778 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -66.6 -24.34 66.31 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.551 0.575 . . . . 1.52 112.551 -173.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.2 p -111.78 -10.65 14.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.963 0.411 . . . . 0.76 111.176 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 t70 62.12 36.81 14.97 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.346 -0.843 . . . . 2.11 110.254 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.614 HG21 HD11 ' A' ' 49' ' ' LEU . 39.8 p -104.16 173.36 6.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.304 -0.862 . . . . 0.76 110.479 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.563 ' O ' ' HA ' ' A' ' 70' ' ' THR . 34.6 tt0 -108.55 119.41 39.45 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.368 -0.604 . . . . 2.39 109.368 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.471 ' CD2' ' HB ' ' A' ' 71' ' ' VAL . 45.5 mt -107.43 133.93 51.22 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.567 -0.453 . . . . 1.51 110.879 -175.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -112.94 109.88 19.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.708 -0.678 . . . . 2.03 109.247 179.846 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -152.03 144.35 24.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.113 -0.494 . . . . 0.96 110.013 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.2 t -109.84 115.27 55.56 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.301 -0.409 . . . . 1.78 110.387 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.61 -37.26 83.18 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.843 3.028 . . . . 1.37 113.618 -177.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -69.63 -41.33 75.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.994 0.426 . . . . 2.96 110.778 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -81.72 -5.29 57.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.848 -0.615 . . . . 2.22 111.901 -170.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.623 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 35.9 pt -99.55 -8.71 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.799 -0.36 . . . . 1.09 110.88 177.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.66 20.84 68.54 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 121.187 -0.53 . . . . 1.4 113.036 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.543 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 61.92 55.89 25.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.904 -0.665 . . . . 1.05 112.616 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 87.4 mt -66.97 163.9 18.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.771 0.32 . . . . 1.72 110.96 177.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -115.12 138.96 50.31 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.971 -0.751 . . . . 3.77 108.971 169.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.9 p -88.85 156.74 18.75 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.783 -0.644 . . . . 0.56 111.604 -175.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.8 m -89.71 122.11 32.51 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.355 -0.98 . . . . 1.54 108.355 170.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.594 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -56.05 110.77 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.541 0.525 . . . . 0.84 111.67 -173.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -111.66 90.64 3.39 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.722 -0.844 . . . . 1.42 108.722 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -124.78 104.5 8.67 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.624 0.726 . . . . 2.43 110.25 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.99 -165.83 33.99 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.32 -0.854 . . . . 0.37 111.043 -176.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.588 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 14.3 ttt180 -107.09 111.55 24.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 117.056 0.428 . . . . 3.27 110.6 -178.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' HIS . . . . . 0.429 ' HA ' ' OE2' ' A' ' 3' ' ' GLU . 42.2 m-70 -154.64 173.02 16.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.662 -0.244 . . . . 1.98 110.506 176.053 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.558 ' OD1' ' HA ' ' A' ' 1' ' ' SER . 8.8 m-20 -72.78 168.78 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.979 -0.555 . . . . 1.86 110.822 177.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.614 HD11 HG21 ' A' ' 26' ' ' THR . 8.8 tt -61.1 -59.69 4.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.433 -0.349 . . . . 1.18 110.178 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -65.24 -30.4 71.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.43 -0.35 . . . . 2.39 111.551 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.462 ' OG ' ' HB2' ' A' ' 48' ' ' ASP . 50.4 m -63.68 -45.25 90.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.691 0.281 . . . . 1.33 110.659 177.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.2 t -59.81 -46.94 87.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 1.21 110.063 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.23 -39.85 80.17 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.846 -0.616 . . . . 0.7 111.161 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -64.22 -46.83 82.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.384 -0.371 . . . . 3.38 111.221 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.7 mt -70.97 -31.34 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.085 0.469 . . . . 1.24 110.737 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 56' ' ' LEU . 5.3 tt -76.41 -33.65 58.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.11 -0.496 . . . . 1.63 109.75 178.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.547 HD22 ' HD1' ' A' ' 64' ' ' TYR . 14.6 tp -64.26 -44.85 90.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 2.17 110.669 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -46.73 109.72 0.22 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.64 -0.709 . . . . 2.3 111.402 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.47 -20.9 17.87 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.918 -0.658 . . . . 1.42 113.095 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.5 p -94.17 -10.85 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 117.213 0.507 . . . . 1.25 112.243 -175.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.46 17.29 39.45 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 121.325 -0.464 . . . . 1.35 113.958 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.7 mt -102.62 176.46 5.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.073 0.436 . . . . 1.28 110.858 -176.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -126.05 133.07 51.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.837 -0.431 . . . . 4.21 109.837 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.547 ' HD1' HD22 ' A' ' 57' ' ' LEU . 45.9 p90 -100.42 118.66 37.09 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.827 -0.749 . . . . 1.37 110.987 178.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -102.48 112.41 25.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.089 -0.959 . . . . 2.64 109.65 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.1 tt -104.61 114.28 43.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.445 0.64 . . . . 1.28 110.368 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -128.4 112.76 14.75 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.539 -0.755 . . . . 2.29 109.939 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.48 -112.17 4.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.995 -0.621 . . . . 1.3 111.802 -176.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -115.42 15.53 16.78 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.642 -0.873 . . . . 2.35 108.642 175.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.563 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 35.0 m -110.38 134.45 52.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.224 -0.898 . . . . 0.97 110.303 -177.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.471 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 18.1 t -119.77 117.48 53.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.17 -0.678 . . . . 0.68 109.17 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 36.4 m -106.8 119.99 40.8 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.282 -0.417 . . . . 0.8 110.343 -175.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 34.5 t -88.9 100.21 10.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.073 -0.714 . . . . 1.01 109.073 177.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.9 t -115.41 161.41 18.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.943 0.401 . . . . 1.87 110.484 -172.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.4 162.21 28.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.015 -0.539 . . . . 1.72 110.353 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 65.7 m -77.2 53.29 0.98 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.831 0.348 . . . . 2.81 111.758 -177.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.45 -32.14 68.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.313 0.578 . . . . 4.62 109.484 174.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.69 62.78 0.67 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.265 -0.88 . . . . 5.99 109.487 173.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.23 59.72 4.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.373 0.606 . . . . 7.46 110.859 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -145.26 72.28 1.32 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.517 -0.765 . . . . 10.73 109.06 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.47 8.69 23.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.828 -0.624 . . . . 11.5 110.668 -177.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.098 0 CA-C-O 117.716 -1.602 . . . . 12.03 110.297 177.683 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.9 m . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 120.733 0.301 . . . . 3.75 110.495 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -131.26 145.73 52.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.354 -0.385 . . . . 3.34 110.376 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -108.22 157.21 18.53 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.426 -0.583 . . . . 1.99 109.426 175.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.479 ' HZ3' ' H ' ' A' ' 49' ' ' LEU . 22.7 m-90 -125.71 145.71 50.06 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.187 0.518 . . . . 1.17 110.62 -175.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -95.62 99.14 11.04 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.51 -0.922 . . . . 1.13 108.51 178.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.549 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 68.9 mt -100.7 121.53 41.8 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.562 -0.744 . . . . 0.75 111.349 -170.332 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -92.37 98.06 11.25 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.416 -0.586 . . . . 2.12 109.416 173.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.42 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 47.9 mm -103.81 119.75 53.53 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.242 -0.435 . . . . 0.91 110.281 -178.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.87 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 18.4 Cg_exo -68.97 147.68 68.48 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.201 2.601 . . . . 0.35 113.434 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.595 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -96.85 26.59 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.386 -0.824 . . . . 0.43 109.963 176.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.482 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 82.1 mt-30 -95.77 -156.6 0.53 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.776 -1.102 . . . . 1.61 108.677 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.4 t -51.79 131.43 30.56 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.822 -0.436 . . . . 1.3 109.822 171.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 51.7 ttm -51.61 -26.97 9.9 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.391 -0.822 . . . . 1.29 111.801 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.494 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 8.8 t30 -55.41 -38.94 69.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.415 -0.357 . . . . 2.26 110.558 175.58 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.5 t -71.43 -42.15 68.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.576 -0.527 . . . . 1.2 109.576 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.87 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.46 -41.85 97.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.418 -0.81 . . . . 0.38 111.537 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.79 -40.13 76.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.305 -0.407 . . . . 0.92 111.083 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 14' ' ' ASN . 98.2 mt-30 -59.13 -41.6 88.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.221 0.534 . . . . 2.19 110.228 174.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.38 -42.74 87.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.609 -0.723 . . . . 0.31 110.84 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.35 -47.96 74.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 1.03 110.988 -176.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.49 98.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.798 -0.637 . . . . 0.44 110.269 -175.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.484 ' HB3' ' HE2' ' A' ' 22' ' ' LYS . 31.4 ttpt -60.09 -41.31 92.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.75 -1.114 . . . . 3.41 111.39 178.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.405 HE21 ' HB2' ' A' ' 23' ' ' GLN . 18.9 mt-30 -77.49 -33.51 54.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.01 0.745 . . . . 1.52 113.01 -171.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.8 p -111.24 3.01 18.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.729 0.64 . . . . 0.76 112.729 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 56.36 38.27 29.58 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.953 -0.567 . . . . 2.11 111.092 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 p -107.17 158.24 17.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.238 -0.437 . . . . 0.76 111.176 -176.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -97.18 123.91 41.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.123 -0.489 . . . . 2.39 109.903 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.545 HD23 ' HB ' ' A' ' 71' ' ' VAL . 86.8 mt -108.02 116.26 31.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.347 -0.388 . . . . 1.51 110.032 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -103.04 109.8 21.48 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.866 -0.79 . . . . 2.03 108.866 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -156.84 158.88 37.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.821 -0.627 . . . . 0.96 109.936 -177.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 p -103.76 111.57 65.19 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 116.119 -0.491 . . . . 1.78 110.26 175.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.74 -26.92 75.62 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.119 2.546 . . . . 1.37 113.268 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -70.24 -18.18 63.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.664 0.269 . . . . 2.96 111.098 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.27 -10.18 56.8 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.892 0.331 . . . . 2.22 111.892 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.465 HG13 ' H ' ' A' ' 37' ' ' GLY . 37.7 pt -103.69 -28.29 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.63 -0.428 . . . . 1.09 110.598 174.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.97 11.27 50.53 Favored Glycine 0 C--N 1.335 0.488 0 CA-C-N 116.039 -0.528 . . . . 1.4 113.428 174.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.465 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 82.31 47.43 6.08 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.948 -0.644 . . . . 1.05 112.419 -178.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' A' ' 38' ' ' LEU . 2.2 pp -87.81 154.67 20.36 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.75 -0.463 . . . . 1.72 109.75 176.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 25.3 ptt-85 -83.21 126.67 32.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.391 0.615 . . . . 3.77 111.108 -175.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 p -86.34 161.05 18.91 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.448 -0.796 . . . . 0.56 110.45 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.0 m -90.57 114.15 26.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.176 -0.465 . . . . 1.54 109.767 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.595 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -58.15 112.17 1.44 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.862 -0.608 . . . . 0.84 112.068 -175.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.7 tp -109.96 83.31 1.73 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.265 -0.643 . . . . 1.42 109.265 174.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.549 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 1.3 tmtp? -101.36 116.02 31.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.891 -0.595 . . . . 2.43 109.614 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.13 -163.7 35.4 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.531 -0.842 . . . . 0.37 112.392 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -97.48 104.68 16.72 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.67 -0.493 . . . . 3.27 109.67 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -138.29 144.37 40.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.23 -0.441 . . . . 1.98 110.891 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.75 161.71 29.93 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.896 -0.779 . . . . 1.86 108.896 169.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.479 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 43.5 tp -55.55 -51.02 68.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.838 0.29 . . . . 1.18 110.852 -175.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -60.0 -38.47 82.69 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.239 -0.437 . . . . 2.39 111.187 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.4 t -62.75 -51.89 65.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.876 -0.602 . . . . 1.33 110.43 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.6 t -61.79 -49.7 75.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.727 -0.67 . . . . 1.21 111.205 -176.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.01 -38.64 83.25 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.186 0.439 . . . . 0.7 112.186 -174.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 59.4 ttt180 -72.17 -47.59 49.67 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.82 -0.352 . . . . 3.38 110.946 -176.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.9 mm -65.85 -37.1 79.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 1.24 110.976 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.8 tp -71.9 -30.17 65.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.036 -0.529 . . . . 1.63 111.095 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.91 HD22 ' HD1' ' A' ' 64' ' ' TYR . 13.7 tp -70.82 -44.44 66.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 2.17 110.996 -178.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 54' ' ' ARG . 26.9 mt-30 -46.81 106.7 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.57 -0.741 . . . . 2.3 112.148 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.91 -20.65 8.09 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.698 -0.763 . . . . 1.42 113.045 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.0 p -91.76 -7.97 48.14 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.43 0.53 . . . . 1.25 112.43 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.16 17.36 61.28 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.995 -0.621 . . . . 1.35 113.293 -178.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.5 mt -105.78 173.65 6.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.752 0.311 . . . . 1.28 110.616 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -119.47 130.87 55.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.133 -0.485 . . . . 4.21 110.416 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.91 ' HD1' HD22 ' A' ' 57' ' ' LEU . 16.7 p90 -99.89 118.69 36.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.304 0.574 . . . . 1.37 109.923 175.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.541 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -100.17 109.23 21.49 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.002 -0.74 . . . . 2.64 109.002 174.545 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.8 tt -105.88 113.19 42.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.596 0.712 . . . . 1.28 110.476 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -132.57 100.06 4.84 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.572 -0.74 . . . . 2.29 109.917 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.2 -106.27 1.47 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.916 -0.659 . . . . 1.3 112.465 -177.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -111.13 7.97 21.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.456 0.646 . . . . 2.35 109.82 178.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.2 m -105.57 120.39 41.51 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.24 -0.891 . . . . 0.97 110.563 -176.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.545 ' HB ' HD23 ' A' ' 28' ' ' LEU . 47.6 t -116.27 122.86 70.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.543 -0.54 . . . . 0.68 109.543 178.375 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.541 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 6.0 m -115.31 127.56 55.52 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.554 -0.294 . . . . 0.8 110.725 -176.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.0 t -98.67 105.4 17.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.694 -0.484 . . . . 1.01 109.694 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.1 m -110.86 140.8 45.0 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.926 -0.579 . . . . 1.87 110.187 -176.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.26 124.98 28.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.712 0.291 . . . . 1.72 110.722 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.0 m -81.35 124.97 29.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.832 0.348 . . . . 2.81 110.573 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.39 146.91 23.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.123 -0.489 . . . . 4.62 111.324 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -101.11 158.86 15.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.854 -0.612 . . . . 5.99 110.129 176.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 55.32 38.34 30.2 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.441 0.639 . . . . 7.46 110.353 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -90.05 -16.01 30.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.566 -0.743 . . . . 10.73 110.545 -177.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -142.26 -32.23 0.51 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.799 -0.637 . . . . 11.5 110.195 -175.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.387 -1.23 . . . . 12.03 111.413 176.772 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.9 m . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 120.784 0.326 . . . . 3.75 110.229 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -78.61 144.88 35.07 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.499 -0.556 . . . . 3.34 109.499 176.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -109.35 157.96 18.38 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.168 0.508 . . . . 1.99 111.004 -176.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 22.3 m-90 -136.97 155.21 50.01 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.365 -0.834 . . . . 1.17 109.15 175.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 m -95.93 98.34 10.32 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.475 -0.935 . . . . 1.13 108.475 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.9 mt -95.57 118.47 32.34 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.265 -0.88 . . . . 0.75 111.056 -169.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -94.31 98.16 10.72 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.936 -0.764 . . . . 2.12 108.936 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.467 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 49.5 mm -106.06 128.02 27.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.2 -0.455 . . . . 0.91 110.841 -175.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.649 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 23.9 Cg_exo -66.7 155.33 70.98 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 123.203 2.602 . . . . 0.35 112.694 176.311 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.21 30.09 5.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.66 0.743 . . . . 0.43 109.707 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 89.4 mt-30 -101.15 -162.81 0.97 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.701 -1.136 . . . . 1.61 109.681 -177.19 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.6 m -56.84 142.25 41.69 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.926 0.393 . . . . 1.3 109.992 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.4 mtt -47.37 -26.69 1.37 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.132 -0.94 . . . . 1.29 112.947 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -52.64 -46.81 67.27 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.285 0.365 . . . . 2.26 111.193 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.5 m -79.45 -42.6 25.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 1.2 110.546 -176.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.649 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -60.25 -48.01 83.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.845 -0.616 . . . . 0.38 111.828 -177.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.86 -38.33 82.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.802 0.334 . . . . 0.92 110.669 -178.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -62.02 -42.92 99.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.048 0.451 . . . . 2.19 110.588 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.86 -41.22 87.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.874 -0.603 . . . . 0.31 111.055 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.1 tp -65.86 -40.04 91.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.908 0.385 . . . . 1.03 110.934 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.14 -54.79 32.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.561 -0.745 . . . . 0.44 110.832 -175.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -66.54 -21.08 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.616 -0.72 . . . . 3.41 112.087 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -81.16 -24.7 37.39 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.684 0.253 . . . . 1.52 111.684 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.6 p -117.77 3.66 12.27 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.714 -0.394 . . . . 0.76 111.884 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 58.15 33.8 23.52 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.075 -0.511 . . . . 2.11 111.021 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.457 HG21 HD11 ' A' ' 49' ' ' LEU . 32.6 p -104.75 162.4 13.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.22 -0.445 . . . . 0.76 110.955 -176.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -105.66 116.45 31.96 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.574 -0.528 . . . . 2.39 109.574 175.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.511 HD23 ' HB ' ' A' ' 71' ' ' VAL . 74.9 mt -105.59 114.75 29.1 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.519 -0.548 . . . . 1.51 109.519 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.9 tp -103.74 115.15 29.95 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.993 -0.549 . . . . 2.03 109.527 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -136.2 170.93 15.23 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.663 -0.699 . . . . 0.96 109.681 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.1 m -130.86 134.41 25.96 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 110.106 -0.331 . . . . 1.78 110.106 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -48.93 -52.41 8.75 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.008 2.472 . . . . 1.37 112.747 -174.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.589 ' CD ' ' H ' ' A' ' 33' ' ' GLU . 1.2 pm0 -71.2 -9.67 58.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.025 -0.534 . . . . 2.96 112.161 -178.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.51 -8.88 33.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 2.22 110.401 -178.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.7 pt -119.9 -29.27 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 1.09 110.737 178.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.81 -1.5 53.47 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.21 -0.519 . . . . 1.4 113.075 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.23 40.77 92.3 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.05 -0.595 . . . . 1.05 112.203 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 pp -91.29 162.94 14.41 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.287 -0.264 . . . . 1.72 110.287 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 9.3 ptp85 -75.69 120.76 21.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.45 0.643 . . . . 3.77 110.123 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 p -84.85 165.8 17.41 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.488 -0.778 . . . . 0.56 111.614 -174.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.5 m -86.49 95.14 9.61 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.0 -0.741 . . . . 1.54 109.0 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.26 127.27 28.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.581 -0.736 . . . . 0.84 111.696 -173.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 43' ' ' LEU . 1.2 tm? -102.91 84.79 2.43 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.112 -1.07 . . . . 1.42 108.112 175.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -99.33 94.65 6.57 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.883 -1.053 . . . . 2.43 109.899 -174.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.83 -163.7 36.23 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.48 -0.867 . . . . 0.37 112.286 -178.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 15.1 ttt180 -110.97 113.64 26.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.022 -0.362 . . . . 3.27 110.022 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -151.42 168.39 25.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.006 0.431 . . . . 1.98 111.558 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.98 152.79 44.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.971 -1.013 . . . . 1.86 110.604 175.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.457 HD11 HG21 ' A' ' 26' ' ' THR . 4.3 tt -57.75 -60.49 3.62 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.55 0.214 . . . . 1.18 111.009 -173.163 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -59.82 -37.5 79.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.946 0.403 . . . . 2.39 110.699 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.6 m -61.32 -47.79 84.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.731 -0.668 . . . . 1.33 110.979 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.4 p -62.1 -39.09 91.33 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.761 0.315 . . . . 1.21 111.071 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.94 -45.81 87.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.216 -0.447 . . . . 0.7 111.307 -178.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.31 -37.07 84.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.656 -0.247 . . . . 3.38 111.427 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.3 mm -70.15 -32.83 52.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.966 0.412 . . . . 1.24 110.413 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -73.12 -48.07 38.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 1.63 110.191 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.9 mt -96.97 22.78 7.94 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.381 -0.372 . . . . 2.17 111.319 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -51.79 94.34 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.641 -0.709 . . . . 2.3 112.358 176.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.42 42.04 57.16 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 121.102 -0.57 . . . . 1.42 113.355 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.1 p -88.75 2.47 53.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.056 0.391 . . . . 1.25 112.056 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.72 10.72 58.85 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 121.09 -0.576 . . . . 1.35 113.036 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 75' ' ' ALA . 78.6 mt -110.37 165.46 11.76 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.783 -0.451 . . . . 1.28 109.783 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.422 ' HG2' ' OG ' ' A' ' 76' ' ' SER . 15.7 mmm180 -111.36 124.23 51.82 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.677 0.275 . . . . 4.21 110.47 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.472 ' HA ' ' O ' ' A' ' 72' ' ' THR . 44.2 p90 -102.4 148.11 25.89 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.744 -0.465 . . . . 1.37 109.744 173.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 73.5 mt-30 -131.08 105.67 7.86 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.322 -0.621 . . . . 2.64 109.322 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.5 tt -111.55 113.82 45.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.372 0.606 . . . . 1.28 111.058 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -156.95 133.85 10.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.607 -0.724 . . . . 2.29 109.92 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.13 -122.17 23.08 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.087 -0.805 . . . . 1.3 111.087 -176.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -109.93 17.25 21.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.942 0.401 . . . . 2.35 109.978 175.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m -111.01 124.19 51.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.882 -0.599 . . . . 0.97 111.403 -176.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.511 ' HB ' HD23 ' A' ' 28' ' ' LEU . 40.6 t -126.32 108.58 19.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.952 -0.758 . . . . 0.68 108.952 172.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.472 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 55.3 m -107.51 129.88 54.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.48 -0.327 . . . . 0.8 111.069 -175.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.3 t -113.56 105.35 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.137 -0.483 . . . . 1.01 109.96 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.5 t -125.75 149.81 48.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.009 -0.542 . . . . 1.87 110.437 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.464 ' HA ' HD22 ' A' ' 62' ' ' LEU . . . -70.66 131.37 43.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.935 0.398 . . . . 1.72 110.579 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.422 ' OG ' ' HG2' ' A' ' 63' ' ' ARG . 4.4 m -61.42 -40.88 96.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.421 -0.809 . . . . 2.81 110.933 -179.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.32 91.98 0.25 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.952 -0.567 . . . . 4.62 110.179 177.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.6 31.29 1.81 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.084 0.469 . . . . 5.99 110.716 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.69 -179.49 6.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.91 -0.586 . . . . 7.46 110.444 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.928 ' HE3' ' HA ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER 72.83 -67.58 0.26 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.832 0.708 . . . . 10.73 110.712 -179.796 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.04 30.31 3.47 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.408 -0.36 . . . . 11.5 111.101 178.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.849 0 CA-C-O 119.28 -0.733 . . . . 12.03 111.315 179.766 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 110.199 -0.296 . . . . 3.75 110.199 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -69.9 130.69 42.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.388 -0.369 . . . . 3.34 110.405 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -108.86 153.41 23.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.685 -0.689 . . . . 1.99 110.149 -177.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.409 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 23.3 m-90 -127.73 150.62 49.71 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.06 -0.518 . . . . 1.17 110.276 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.6 m -96.35 97.9 9.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.81 -0.811 . . . . 1.13 108.81 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.1 mt -97.06 122.31 39.92 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.42 -0.809 . . . . 0.75 110.358 -172.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.84 101.69 14.27 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.268 -0.642 . . . . 2.12 109.268 172.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.635 ' H ' ' HB3' ' A' ' 44' ' ' LYS . 40.5 mm -109.75 125.69 30.7 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.142 -0.481 . . . . 0.91 111.075 -175.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.694 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 19.9 Cg_exo -68.3 165.59 28.24 Favored 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.773 2.982 . . . . 0.35 112.884 178.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -117.99 22.47 12.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.43 111.373 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -102.87 -157.42 0.61 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.021 -0.536 . . . . 1.61 109.776 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 m -52.26 139.45 23.97 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 121.194 0.521 . . . . 1.3 111.299 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.424 ' HB2' HD12 ' A' ' 35' ' ' ILE . 19.0 mmt -46.72 -31.63 3.07 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 114.941 -1.027 . . . . 1.29 112.269 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -49.71 -43.12 47.33 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.354 0.409 . . . . 2.26 110.699 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -78.27 -47.75 17.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.299 -0.41 . . . . 1.2 110.316 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.694 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -64.1 -43.47 95.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.38 111.793 -174.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.05 -48.56 67.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.09 -0.504 . . . . 0.92 110.577 -177.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -61.99 -32.75 73.24 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.878 0.371 . . . . 2.19 110.82 177.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.498 ' O ' ' HB2' ' A' ' 23' ' ' GLN . . . -66.88 -43.71 82.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.31 110.799 177.011 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.2 -37.45 80.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.997 0.427 . . . . 1.03 110.284 -178.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.28 -63.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.269 -0.878 . . . . 0.44 110.682 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -64.81 -21.3 66.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.309 -0.405 . . . . 3.41 112.044 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -65.79 -31.81 72.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.9 0.381 . . . . 1.52 110.628 177.823 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -118.05 10.3 13.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.154 -0.476 . . . . 0.76 110.975 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.9 t70 53.06 41.97 32.19 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.223 -0.898 . . . . 2.11 110.766 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -105.05 -177.72 3.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.788 -0.642 . . . . 0.76 111.219 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 52.4 tp60 -125.03 130.02 51.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.871 -0.604 . . . . 2.39 109.727 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.564 HD22 ' HB ' ' A' ' 71' ' ' VAL . 41.3 mt -117.47 127.98 54.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.872 0.368 . . . . 1.51 110.18 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.5 112.8 25.12 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.786 -0.82 . . . . 2.03 108.786 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -153.07 152.17 31.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.233 -0.439 . . . . 0.96 110.23 -176.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.1 m -106.06 113.49 63.54 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.562 -0.533 . . . . 1.78 109.562 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.99 -34.12 75.64 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.463 2.775 . . . . 1.37 113.418 -176.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.55 -26.43 57.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.059 0.457 . . . . 2.96 111.115 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -92.8 -12.48 31.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.061 -0.518 . . . . 2.22 110.848 -172.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.554 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 19.8 pt -95.66 5.92 8.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 1.09 109.705 177.152 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.43 16.47 43.56 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.324 -0.853 . . . . 1.4 114.095 173.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.69 42.75 78.72 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.911 -0.662 . . . . 1.05 111.986 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 92.6 mt -76.83 149.43 36.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.424 -0.213 . . . . 1.72 110.424 -176.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.685 ' H ' ' HD2' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -84.49 144.47 28.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.994 0.426 . . . . 3.77 109.89 175.84 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 p -85.27 156.1 21.09 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.669 -0.696 . . . . 0.56 110.593 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.8 t -86.65 125.85 34.13 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.232 -1.025 . . . . 1.54 108.232 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -56.85 96.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.71 0.631 . . . . 0.84 111.255 -176.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.4 tp -117.6 81.81 1.72 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.858 -0.793 . . . . 1.42 108.858 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.635 ' HB3' ' H ' ' A' ' 8' ' ' ILE . 25.0 pttm -119.51 120.12 35.84 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 121.424 0.63 . . . . 2.43 109.831 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.38 -162.31 33.4 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.076 -0.965 . . . . 0.37 111.411 -174.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 54.8 ttt180 -97.03 106.1 18.38 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.975 -0.38 . . . . 3.27 109.975 -177.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -141.08 160.78 39.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.372 -0.377 . . . . 1.98 110.507 -175.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -86.83 166.41 15.22 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.544 -0.539 . . . . 1.86 109.544 172.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.4 tp -57.88 -55.2 38.03 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.302 0.376 . . . . 1.18 111.765 -173.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.465 ' HA ' ' OE1' ' A' ' 50' ' ' GLN . 14.0 mm-40 -60.16 -45.91 91.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 2.39 111.569 -175.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.0 t -60.47 -41.97 95.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.442 -0.344 . . . . 1.33 110.549 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 m -62.07 -48.23 81.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.284 -0.417 . . . . 1.21 110.909 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.6 -45.96 87.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.154 0.502 . . . . 0.7 110.665 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 25.2 ttt180 -61.98 -48.51 80.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.387 -0.824 . . . . 3.38 111.353 -177.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.0 mt -72.34 -35.58 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.969 0.359 . . . . 1.24 111.969 -176.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.0 tt -66.89 -47.17 72.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 1.63 110.802 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.693 ' HG ' ' HB3' ' A' ' 64' ' ' TYR . 3.9 mm? -79.07 -24.19 43.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.59 0.233 . . . . 2.17 111.149 -179.185 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.468 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 60.7 tt0 -52.42 109.4 0.39 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.224 -0.444 . . . . 2.3 111.243 175.072 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.29 63.41 1.19 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.619 -0.8 . . . . 1.42 112.132 178.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.6 p -144.57 -36.25 0.32 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.012 0.434 . . . . 1.25 110.993 -176.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.25 7.79 51.43 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.218 -0.753 . . . . 1.35 111.218 -172.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.7 mt -117.43 160.68 20.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.726 0.298 . . . . 1.28 110.361 -177.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.433 ' HG3' ' OG ' ' A' ' 76' ' ' SER . 99.8 mtt180 -114.37 126.69 55.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 4.21 109.963 178.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.693 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 40.3 p90 -100.54 145.57 28.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.246 -0.434 . . . . 1.37 110.727 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -133.3 126.95 32.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.766 -0.652 . . . . 2.64 109.757 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.2 tt -103.01 123.43 56.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.442 0.639 . . . . 1.28 111.076 178.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -127.56 91.55 3.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.504 -0.771 . . . . 2.29 110.115 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.45 -99.55 0.4 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.26 -0.495 . . . . 1.3 112.524 -178.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -118.22 9.46 12.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.343 0.592 . . . . 2.35 109.935 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 m -111.91 138.24 48.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.559 -0.746 . . . . 0.97 109.672 177.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.564 ' HB ' HD22 ' A' ' 28' ' ' LEU . 22.9 t -126.02 135.36 64.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.583 -0.525 . . . . 0.68 109.583 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.0 m -112.13 130.88 55.75 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.654 -0.248 . . . . 0.8 110.54 -177.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.4 t -117.75 110.82 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.445 -0.343 . . . . 1.01 110.243 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.0 t -129.7 151.94 49.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.966 -0.561 . . . . 1.87 110.151 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.4 141.04 48.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 1.72 111.125 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.433 ' OG ' ' HG3' ' A' ' 63' ' ' ARG . 15.5 m -68.49 96.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.032 -0.531 . . . . 2.81 110.581 177.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.83 33.56 2.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.125 -0.488 . . . . 4.62 110.562 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -140.72 85.01 1.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.988 -0.551 . . . . 5.99 110.408 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -114.09 23.27 13.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.122 -0.49 . . . . 7.46 110.896 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -100.75 -74.88 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.867 0.365 . . . . 10.73 110.292 177.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.56 68.49 4.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.526 0.679 . . . . 11.5 109.759 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.096 -1.391 . . . . 12.03 111.057 179.528 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 . . . . . 0 N--CA 1.448 -0.544 0 N-CA-C 108.792 -0.818 . . . . 1.99 108.792 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.535 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 29.7 m-90 -133.37 160.88 36.05 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 110.288 -0.264 . . . . 1.1699999999999999 110.288 -172.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 t -96.17 99.92 11.61 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.387 -0.968 . . . . 1.1299999999999999 108.387 173.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.9 mt -86.24 153.38 22.05 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.37 -0.832 . . . . 0.75 111.819 -170.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -130.55 98.27 4.62 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.949 -1.13 . . . . 2.1200000000000001 107.949 172.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.426 HD11 HD13 ' A' ' 20' ' ' LEU . 47.2 mm -117.72 125.92 27.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.015 -0.538 . . . . 0.91000000000000003 110.968 -172.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.719 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 26.1 Cg_exo -64.55 153.34 77.79 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.95 2.433 . . . . 0.34999999999999998 112.453 175.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -109.97 20.89 17.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.852 0.834 . . . . 0.42999999999999999 109.779 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.546 HE21 ' CB ' ' A' ' 15' ' ' SER . 12.1 pt20 -96.71 -150.02 0.33 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.566 -1.197 . . . . 1.6100000000000001 109.246 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -53.27 131.33 37.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.813 0.816 . . . . 1.3 111.388 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.515 ' HB3' HD12 ' A' ' 35' ' ' ILE . 50.2 tpp -49.91 -34.41 20.28 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 114.294 -1.321 . . . . 1.29 112.57 -176.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -57.2 -33.06 67.11 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.393 -0.367 . . . . 2.2599999999999998 111.18 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.546 ' CB ' HE21 ' A' ' 11' ' ' GLN . 6.5 m -78.1 -44.96 24.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.913 -0.585 . . . . 1.2 110.626 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.719 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -60.54 -46.46 90.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.97 -0.559 . . . . 0.38 111.542 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.64 -43.4 89.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 0.92000000000000004 110.992 -178.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.54 -37.39 86.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.931 0.396 . . . . 2.1899999999999999 111.063 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.48 -40.42 93.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.125 -0.489 . . . . 0.31 110.405 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.426 HD13 HD11 ' A' ' 8' ' ' ILE . 60.3 tp -65.87 -34.67 78.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.0 -0.545 . . . . 1.03 110.16 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.55 -57.01 14.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.137 -0.938 . . . . 0.44 110.628 -175.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -63.1 -36.63 84.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.353 -0.84 . . . . 3.4100000000000001 111.354 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -80.3 -18.52 49.03 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.887 0.699 . . . . 1.52 112.887 -171.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.8 p -120.32 9.34 10.99 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.635 -0.426 . . . . 0.76000000000000001 111.992 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 60.73 47.32 8.14 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.013 -0.54 . . . . 2.1099999999999999 111.017 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p -128.54 154.66 45.93 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.003 0.43 . . . . 0.76000000000000001 111.44 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -103.46 120.18 40.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.901 -0.591 . . . . 2.3900000000000001 109.53 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.573 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 9.8 mp -112.94 125.78 54.76 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.923 -0.399 . . . . 1.51 109.923 -176.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -106.47 120.76 42.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.917 -0.583 . . . . 2.0299999999999998 110.211 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -156.53 157.67 35.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.339 -0.846 . . . . 0.95999999999999996 109.731 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 38.1 t -102.72 114.09 65.51 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-O 120.827 0.346 . . . . 1.78 110.313 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.87 -30.14 77.07 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.0 2.466 . . . . 1.3700000000000001 112.608 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.411 ' HG2' ' OG ' ' A' ' 31' ' ' SER . 13.6 pt-20 -76.89 -32.04 57.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.094 -0.503 . . . . 2.96 111.069 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.411 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 28.8 t70 -84.79 -8.02 58.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.963 -0.562 . . . . 2.2200000000000002 111.733 -171.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.515 HD12 ' HB3' ' A' ' 13' ' ' MET . 24.6 pt -96.89 -1.03 10.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.911 -0.316 . . . . 1.0900000000000001 111.116 -178.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.73 17.19 33.69 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 116.067 -0.515 . . . . 1.3999999999999999 114.304 173.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.05 40.38 93.13 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.804 -0.712 . . . . 1.05 112.569 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.9 mt -74.22 144.65 44.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.27 -0.27 . . . . 1.72 110.27 178.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 13.5 ptm180 -79.21 135.8 36.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.054 0.454 . . . . 3.77 110.238 176.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 p -83.96 156.47 22.3 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.731 -0.668 . . . . 0.56000000000000005 111.758 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 t -87.93 95.83 10.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.8 -0.815 . . . . 1.54 108.8 176.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -58.04 115.44 2.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.44 -0.8 . . . . 0.83999999999999997 111.932 -174.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.4 tp -114.25 83.59 1.9 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.455 -0.572 . . . . 1.4199999999999999 109.455 174.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -102.09 103.61 14.19 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.515 0.674 . . . . 2.4300000000000002 109.996 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.52 -162.98 31.86 Favored Glycine 0 N--CA 1.44 -1.045 0 N-CA-C 110.387 -1.085 . . . . 0.37 110.387 -174.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.535 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 34.0 ttm105 -98.74 111.86 24.11 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 117.139 0.47 . . . . 3.27 110.739 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -155.6 161.68 40.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.593 -0.73 . . . . 1.98 110.689 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.56 157.02 27.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.359 -0.837 . . . . 1.8600000000000001 110.763 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 1.1 tm? -57.25 -58.28 8.91 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.116 0.166 . . . . 1.1799999999999999 111.124 -173.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -59.2 -41.53 88.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.044 0.45 . . . . 2.3900000000000001 110.983 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.7 m -63.09 -45.57 91.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.698 -0.683 . . . . 1.3300000000000001 111.003 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.9 m -61.98 -42.74 99.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.341 -0.391 . . . . 1.21 110.823 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 95.9 mt -57.38 -46.11 83.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.128 -0.487 . . . . 0.69999999999999996 110.219 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -61.48 -45.21 95.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.714 -0.675 . . . . 3.3799999999999999 111.271 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.2 mt -67.77 -42.5 86.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.855 0.36 . . . . 1.24 111.468 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.11 -41.56 67.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.305 -0.407 . . . . 1.6299999999999999 110.833 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 62' ' ' LEU . 3.0 tm? -72.13 -44.59 62.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.034 -0.53 . . . . 2.1699999999999999 110.805 -175.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -46.53 112.64 0.52 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.574 0.546 . . . . 2.2999999999999998 111.613 -177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.59 -13.66 5.61 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.585 -0.734 . . . . 1.4199999999999999 111.947 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.2 p -107.03 3.0 25.48 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.091 0.404 . . . . 1.25 112.091 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.12 25.22 53.58 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 114.16 0.424 . . . . 1.3500000000000001 114.16 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.487 ' HB2' HD11 ' A' ' 57' ' ' LEU . 80.8 mt -100.46 169.33 9.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.403 -0.469 . . . . 1.28 110.434 -178.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 62' ' ' LEU . 10.6 mpt_? -121.75 126.29 48.55 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.96 -0.385 . . . . 4.21 109.96 177.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -100.51 125.46 46.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.108 0.48 . . . . 1.3700000000000001 110.851 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.436 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 48.1 mt-30 -101.54 110.36 22.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.903 -0.589 . . . . 2.6400000000000001 109.81 175.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.41 HD12 HD12 ' A' ' 49' ' ' LEU . 7.7 tt -104.78 114.8 45.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.277 0.561 . . . . 1.28 110.451 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -135.62 101.25 4.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.881 -0.599 . . . . 2.29 110.346 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.06 -105.09 0.77 Allowed Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 121.045 -0.597 . . . . 1.3 112.959 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -106.93 7.78 30.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.922 0.391 . . . . 2.3500000000000001 110.26 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 m -109.2 125.96 52.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.939 0.4 . . . . 0.96999999999999997 111.038 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.573 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 58.7 t -122.16 111.59 31.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.397 -0.594 . . . . 0.68000000000000005 109.397 175.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.436 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 19.1 m -110.38 112.52 24.51 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.891 0.377 . . . . 0.80000000000000004 110.542 -176.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.3 t -93.38 104.64 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.843 -0.429 . . . . 1.01 109.843 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 C--N 1.323 -0.583 0 CA-C-N 116.237 -0.438 . . . . 1.8700000000000001 110.334 -178.436 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.686 ' OE2' ' HA ' ' A' ' 47' ' ' HIS . 48.1 mt-10 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.874 0.369 . . . . 1.99 110.83 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.484 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 22.3 m-90 -134.53 164.59 27.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.92 -0.582 . . . . 1.1699999999999999 110.084 -175.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.4 m -91.17 98.54 11.8 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.684 -0.858 . . . . 1.1299999999999999 108.684 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.3 mt -107.79 152.01 24.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.017 -0.538 . . . . 0.75 111.238 -172.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -133.0 106.11 7.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.732 -0.667 . . . . 2.1200000000000001 109.745 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.445 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 1.8 mp -105.87 120.47 48.97 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.349 -0.387 . . . . 0.91000000000000003 110.518 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.71 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 32.0 Cg_exo -62.28 149.28 91.25 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.434 2.756 . . . . 0.34999999999999998 113.095 178.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -96.95 30.2 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.685 0.755 . . . . 0.42999999999999999 109.591 175.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -98.15 -151.13 0.37 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.56 -1.2 . . . . 1.6100000000000001 108.887 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -56.92 138.68 53.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.679 -0.489 . . . . 1.3 109.679 173.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.452 ' HB3' HD12 ' A' ' 35' ' ' ILE . 55.7 tpp -51.73 -26.23 9.0 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.779 -0.646 . . . . 1.29 110.727 176.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -55.37 -40.63 71.56 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.285 -0.871 . . . . 2.2599999999999998 110.907 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.0 m -74.18 -42.22 60.21 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.944 0.402 . . . . 1.2 110.453 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.71 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -59.84 -47.41 85.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.838 -0.619 . . . . 0.38 111.797 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.31 -41.12 85.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.435 -0.348 . . . . 0.92000000000000004 110.893 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.36 -38.86 92.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 2.1899999999999999 110.429 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.64 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.31 111.022 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.2 tp -66.28 -34.93 79.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.061 0.458 . . . . 1.03 110.124 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.572 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -61.04 -54.12 48.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.036 -0.984 . . . . 0.44 110.587 -177.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -64.07 -42.47 96.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.673 -0.694 . . . . 3.4100000000000001 110.947 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -62.69 -34.38 77.01 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.919 0.711 . . . . 1.52 112.919 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.3 p -113.17 3.1 15.88 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.785 -0.366 . . . . 0.76000000000000001 111.75 -175.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 56.7 49.01 15.21 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.351 -0.84 . . . . 2.1099999999999999 110.229 -176.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.3 p -113.65 160.64 18.38 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.349 -0.842 . . . . 0.76000000000000001 110.036 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -102.54 122.65 44.78 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.567 -0.531 . . . . 2.3900000000000001 109.567 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.572 HD23 ' HB2' ' A' ' 21' ' ' ALA . 2.1 mm? -101.78 122.91 44.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.466 -0.334 . . . . 1.51 110.32 -177.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.84 100.11 9.64 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.914 -0.773 . . . . 2.0299999999999998 108.914 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.444 ' CD1' ' HB3' ' A' ' 28' ' ' LEU . 37.7 p90 -156.77 160.61 39.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.914 -0.584 . . . . 0.95999999999999996 110.156 -175.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.438 ' O ' HG12 ' A' ' 35' ' ' ILE . 77.7 p -136.46 142.41 39.3 Favored Pre-proline 0 C--N 1.316 -0.856 0 N-CA-C 109.365 -0.606 . . . . 1.78 109.365 175.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.94 -20.2 43.53 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.747 2.298 . . . . 1.3700000000000001 111.103 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -66.65 -49.19 67.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.458 -0.792 . . . . 2.96 110.691 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -73.78 -33.23 64.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.93 -0.577 . . . . 2.2200000000000002 110.925 -173.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.52 HG13 ' H ' ' A' ' 37' ' ' GLY . 31.1 pt -94.74 -3.38 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.441 -0.345 . . . . 1.0900000000000001 111.608 -175.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.41 8.92 40.67 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 121.448 -0.406 . . . . 1.3999999999999999 113.687 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.52 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 63.23 43.35 98.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.199 -0.524 . . . . 1.05 112.73 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 pp -87.69 159.54 18.47 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.035 -0.357 . . . . 1.72 110.035 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -82.48 141.99 32.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.184 0.516 . . . . 3.77 111.249 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 p -90.67 158.04 17.13 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.386 -0.825 . . . . 0.56000000000000005 110.627 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.4 m -89.56 125.29 35.16 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.559 -0.534 . . . . 1.54 109.559 173.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.548 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -57.5 106.09 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 O-C-N 123.752 0.658 . . . . 0.83999999999999997 111.489 -175.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -112.95 84.26 1.96 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.443 -0.947 . . . . 1.4199999999999999 108.443 178.107 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -121.27 124.94 45.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.315 0.578 . . . . 2.4300000000000002 110.487 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.59 -161.77 33.33 Favored Glycine 0 N--CA 1.441 -0.975 0 N-CA-C 110.677 -0.969 . . . . 0.37 110.677 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 58.7 mtm180 -97.11 95.73 7.97 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.84 -0.43 . . . . 3.27 109.84 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.686 ' HA ' ' OE2' ' A' ' 3' ' ' GLU . 6.9 m-70 -145.51 159.32 43.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.509 . . . . 1.98 111.017 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -85.79 175.85 8.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.674 -0.694 . . . . 1.8600000000000001 110.807 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.74 -54.82 42.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 1.1799999999999999 111.625 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -61.01 -45.1 96.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.445 -0.343 . . . . 2.3900000000000001 111.733 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.8 m -60.26 -43.93 95.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.756 0.312 . . . . 1.3300000000000001 110.837 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.6 m -60.92 -47.72 85.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.418 -0.355 . . . . 1.21 110.639 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.11 -42.82 99.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.25 -0.432 . . . . 0.69999999999999996 111.224 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -48.85 77.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.923 -0.581 . . . . 3.3799999999999999 110.566 -176.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.0 mt -72.96 -33.57 43.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.541 -0.299 . . . . 1.24 110.972 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.1 tp -67.08 -41.01 87.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.63 0.253 . . . . 1.6299999999999999 111.044 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.409 HD12 ' CD1' ' A' ' 64' ' ' TYR . 79.1 mt -101.8 14.32 32.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 2.1699999999999999 111.104 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -53.83 92.5 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.446 -0.797 . . . . 2.2999999999999998 111.632 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.13 30.9 77.76 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.276 -0.488 . . . . 1.4199999999999999 113.162 176.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.9 p -89.97 0.87 56.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.056 0.455 . . . . 1.25 111.608 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.4 -5.44 84.49 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.947 -0.644 . . . . 1.3500000000000001 112.125 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 67.6 mt -97.09 149.73 21.63 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.456 -0.572 . . . . 1.28 109.456 179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -122.68 157.2 32.77 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.406 -0.961 . . . . 4.21 108.406 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.504 ' HA ' ' O ' ' A' ' 72' ' ' THR . 51.5 p90 -141.41 127.97 20.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.466 0.651 . . . . 1.3700000000000001 111.84 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -107.53 123.09 47.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.339 -0.846 . . . . 2.6400000000000001 108.891 168.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.6 tt -102.87 98.53 6.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.893 0.854 . . . . 1.28 110.502 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -100.63 115.14 29.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.513 -0.767 . . . . 2.29 109.919 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.99 -111.59 4.32 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.885 -0.598 . . . . 1.3 112.076 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -112.0 12.67 20.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.188 0.518 . . . . 2.3500000000000001 109.88 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.3 m -113.31 131.64 55.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.757 -0.656 . . . . 0.96999999999999997 110.915 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.485 ' HB ' HD13 ' A' ' 28' ' ' LEU . 43.8 t -111.04 117.8 55.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.604 -0.726 . . . . 0.68000000000000005 109.221 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 7.5 m -103.05 106.7 17.27 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.842 0.353 . . . . 0.80000000000000004 110.572 -174.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.3 t -91.15 113.04 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.95 -0.568 . . . . 1.01 109.638 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.8 m . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 115.851 -0.613 . . . . 1.8700000000000001 111.269 -175.38 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.212 0 CA-C-O 121.1 0.476 . . . . 1.99 111.14 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 28.6 m-90 -133.22 157.56 45.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.619 -0.718 . . . . 1.1699999999999999 109.309 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 5' ' ' THR . 8.0 t -94.42 103.91 15.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.954 0.883 . . . . 1.1299999999999999 108.908 174.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -96.06 155.78 16.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.226 -0.897 . . . . 0.75 112.056 -169.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -140.25 107.73 5.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.103 -0.953 . . . . 2.1200000000000001 108.87 172.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.75 HD11 HD13 ' A' ' 20' ' ' LEU . 79.2 mt -121.01 124.63 27.34 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 115.723 -0.671 . . . . 0.91000000000000003 110.358 -174.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.886 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 50.1 Cg_exo -56.72 162.8 8.01 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.564 2.842 . . . . 0.34999999999999998 113.559 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -117.9 25.82 10.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.951 0.881 . . . . 0.42999999999999999 109.286 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 10.8 pt20 -104.61 -149.11 0.41 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 113.839 -1.528 . . . . 1.6100000000000001 109.391 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.7 p -55.76 128.67 35.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.679 0.752 . . . . 1.3 110.865 175.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.457 ' HB3' HD12 ' A' ' 35' ' ' ILE . 48.9 ttm -52.15 -29.94 24.36 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 114.558 -1.201 . . . . 1.29 112.995 -174.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -58.18 -37.96 75.76 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.5 0.185 . . . . 2.2599999999999998 111.5 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.6 m -75.55 -39.12 58.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.433 0.635 . . . . 1.2 109.777 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.886 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.86 -43.81 98.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.231 -0.895 . . . . 0.38 111.765 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.514 ' O ' HD12 ' A' ' 28' ' ' LEU . 96.5 mt -65.14 -39.03 92.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.168 -0.469 . . . . 0.92000000000000004 110.856 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.56 -37.72 88.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.037 0.446 . . . . 2.1899999999999999 110.453 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.58 81.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.121 -0.49 . . . . 0.31 110.928 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.75 HD13 HD11 ' A' ' 8' ' ' ILE . 63.8 tp -65.46 -36.49 84.06 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.135 0.493 . . . . 1.03 109.875 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.99 -55.05 29.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.221 -0.9 . . . . 0.44 110.376 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -64.76 -34.19 77.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.635 -0.711 . . . . 3.4100000000000001 111.385 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -65.91 -26.74 67.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.434 -0.348 . . . . 1.52 111.769 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.1 p -115.32 1.64 13.8 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.756 0.28 . . . . 0.76000000000000001 111.756 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 58.98 39.34 23.68 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.736 -0.666 . . . . 2.1099999999999999 110.745 -177.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.7 p -112.06 166.31 11.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.953 -0.567 . . . . 0.76000000000000001 110.896 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -103.77 119.5 39.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.215 -0.448 . . . . 2.3900000000000001 110.132 176.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.524 HD23 ' HB ' ' A' ' 71' ' ' VAL . 73.7 mt -112.18 115.19 28.42 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.023 -0.732 . . . . 1.51 109.023 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.7 mt -102.48 121.85 43.16 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.922 -0.581 . . . . 2.0299999999999998 110.284 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -157.68 155.4 29.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.004 0.43 . . . . 0.95999999999999996 110.91 -175.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.435 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 35.0 t -104.05 122.54 43.95 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 1.78 109.672 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -59.95 -36.75 89.1 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.548 2.832 . . . . 1.3700000000000001 113.568 -173.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -75.11 -27.44 59.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.228 0.537 . . . . 2.96 110.773 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.435 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 7.0 m-20 -87.58 -1.02 57.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.91 -0.586 . . . . 2.2200000000000002 111.749 -170.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 13' ' ' MET . 30.4 pt -101.62 8.2 9.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.106 0.479 . . . . 1.0900000000000001 110.043 174.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.76 6.09 34.74 Favored Glycine 0 C--N 1.336 0.566 0 CA-C-N 115.328 -0.851 . . . . 1.3999999999999999 114.387 171.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.18 38.22 96.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.586 -0.816 . . . . 1.05 111.533 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.3 mt -83.56 157.93 22.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.665 -0.267 . . . . 1.72 110.296 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 33.6 ptt180 -79.41 143.89 34.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.169 0.509 . . . . 3.77 109.902 173.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.7 p -87.94 156.21 19.46 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.568 -0.742 . . . . 0.56000000000000005 111.308 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.5 m -88.98 100.57 13.31 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.89 -0.781 . . . . 1.54 108.89 173.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -56.92 112.4 1.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.344 -0.844 . . . . 0.83999999999999997 111.622 -174.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.0 tp -115.06 91.61 3.67 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.289 0.566 . . . . 1.4199999999999999 109.628 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -114.62 110.76 20.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.777 -0.647 . . . . 2.4300000000000002 110.382 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.24 -162.07 33.21 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.043 -0.98 . . . . 0.37 111.247 -174.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -98.13 95.66 7.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.92 0.39 . . . . 3.27 109.992 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -140.05 159.92 41.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.207 -0.451 . . . . 1.98 110.778 -178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -90.5 169.24 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.718 -0.674 . . . . 1.8600000000000001 109.633 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 46.6 tp -59.27 -57.76 11.6 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.302 0.376 . . . . 1.1799999999999999 111.898 -172.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -60.72 -44.26 96.84 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 111.976 0.362 . . . . 2.3900000000000001 111.976 -174.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.6 m -62.12 -40.59 96.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 1.3300000000000001 110.87 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -62.56 -40.45 96.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.419 . . . . 1.21 110.741 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 92.2 mt -61.66 -40.41 94.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.892 -0.595 . . . . 0.69999999999999996 110.306 177.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -61.78 -54.82 37.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.022 -0.535 . . . . 3.3799999999999999 111.23 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.6 mt -61.89 -36.41 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 1.24 111.539 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 56' ' ' LEU . 5.3 tt -75.09 -37.11 61.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.455 -0.338 . . . . 1.6299999999999999 110.53 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.6 mt -106.94 25.36 11.43 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.962 0.356 . . . . 2.1699999999999999 111.962 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -48.82 -66.7 0.36 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.051 0.453 . . . . 2.2999999999999998 112.125 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.1 41.16 1.62 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.735 -0.745 . . . . 1.4199999999999999 112.356 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.7 p -90.6 -13.44 34.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.528 0.204 . . . . 1.25 111.312 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.37 6.18 78.28 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.777 -0.725 . . . . 1.3500000000000001 112.456 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.2 mt -111.96 156.28 22.37 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.068 -0.345 . . . . 1.28 110.068 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -123.19 173.27 8.01 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.977 -0.379 . . . . 4.21 109.977 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -141.2 131.06 24.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.172 0.511 . . . . 1.3700000000000001 111.44 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -100.36 112.32 24.65 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.833 -0.803 . . . . 2.6400000000000001 108.833 171.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.3 tt -102.95 121.18 53.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.115 0.483 . . . . 1.28 111.002 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -129.64 95.38 3.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.709 -0.678 . . . . 2.29 109.792 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.88 -100.08 0.47 Allowed Glycine 0 CA--C 1.518 0.28 0 CA-C-N 115.761 -0.654 . . . . 1.3 112.865 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.469 ' H ' HD22 ' A' ' 69' ' ' ASN . 0.0 OUTLIER -118.16 9.56 12.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.409 0.624 . . . . 2.3500000000000001 110.154 -179.574 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.1 m -117.17 129.64 56.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.803 -0.635 . . . . 0.96999999999999997 109.945 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.524 ' HB ' HD23 ' A' ' 28' ' ' LEU . 42.9 t -127.08 132.76 69.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.802 0.334 . . . . 0.68000000000000005 110.245 -176.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.6 m -113.42 116.51 29.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.39 -0.368 . . . . 0.80000000000000004 110.541 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.8 t -81.2 116.6 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.032 0.444 . . . . 1.01 109.913 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.3 m . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 115.967 -0.56 . . . . 1.8700000000000001 110.317 -176.535 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 . . . . . 0 N--CA 1.449 -0.517 0 N-CA-C 109.644 -0.502 . . . . 1.99 109.644 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.449 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 27.5 m-90 -126.67 148.21 49.86 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.912 -0.585 . . . . 1.1699999999999999 109.918 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.9 m -96.74 98.12 9.89 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.052 -1.092 . . . . 1.1299999999999999 108.052 172.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.16 157.08 18.41 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.409 -0.814 . . . . 0.75 111.759 -170.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -136.62 98.15 3.73 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.331 -0.989 . . . . 2.1200000000000001 108.331 174.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.417 HG23 ' HB1' ' A' ' 16' ' ' ALA . 47.6 mm -106.99 122.17 42.47 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.812 -0.631 . . . . 0.91000000000000003 111.147 -171.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.657 ' HB3' HE22 ' A' ' 11' ' ' GLN . 48.0 Cg_exo -57.41 159.54 15.94 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.338 2.692 . . . . 0.34999999999999998 112.803 176.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -118.12 26.27 9.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.641 0.734 . . . . 0.42999999999999999 110.365 -178.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.657 HE22 ' HB3' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -109.51 -144.62 0.39 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.167 -0.924 . . . . 1.6100000000000001 109.502 179.771 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m -52.72 127.05 21.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.174 0.511 . . . . 1.3 110.968 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 52.1 tpp -49.65 -33.75 16.45 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 114.862 -1.063 . . . . 1.29 111.952 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.94 HD21 ' HB3' ' A' ' 32' ' ' PRO . 15.6 m120 -56.98 -33.48 67.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 2.2599999999999998 111.948 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 m -79.35 -46.08 18.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.186 0.517 . . . . 1.2 110.007 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.599 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -63.91 -43.32 96.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.496 -0.774 . . . . 0.38 111.793 -176.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.8 mt -65.95 -42.98 89.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.615 -0.266 . . . . 0.92000000000000004 110.909 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 22' ' ' LYS . 9.2 tt0 -62.9 -36.87 84.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.816 0.341 . . . . 2.1899999999999999 110.32 178.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -64.57 -42.56 95.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.31 110.572 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.2 tp -65.68 -35.01 79.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.108 -0.496 . . . . 1.03 110.216 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.09 -45.43 93.56 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.234 -0.894 . . . . 0.44 110.277 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 73.1 mmtt -63.17 -48.63 77.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.659 -0.7 . . . . 3.4100000000000001 110.713 178.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 86.7 mt-30 -60.02 -32.34 70.8 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.622 -0.717 . . . . 1.52 112.227 -173.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.546 HG21 HD13 ' A' ' 49' ' ' LEU . 25.6 p -110.86 -3.29 15.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.063 0.459 . . . . 0.76000000000000001 111.471 -176.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t70 57.8 41.32 25.15 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.198 -0.91 . . . . 2.1099999999999999 110.499 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 p -106.76 175.16 5.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.691 -0.686 . . . . 0.76000000000000001 111.203 -177.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -109.01 112.49 24.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.94 -0.573 . . . . 2.3900000000000001 110.25 175.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.8 mt -108.91 113.67 26.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.079 -0.51 . . . . 1.51 109.746 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 29' ' ' LEU . 3.8 mm? -105.78 118.94 37.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.1 -0.5 . . . . 2.0299999999999998 109.953 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -147.95 153.74 39.43 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.705 -0.68 . . . . 0.95999999999999996 109.462 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.631 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 26.6 t -98.19 104.81 24.8 Favored Pre-proline 0 C--N 1.317 -0.833 0 N-CA-C 109.756 -0.461 . . . . 1.78 109.756 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.94 ' HB3' HD21 ' A' ' 14' ' ' ASN . 12.5 Cg_endo -57.32 -30.39 87.5 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.937 2.425 . . . . 1.3700000000000001 112.054 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.62 -37.32 73.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.83 -0.623 . . . . 2.96 110.414 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.631 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 4.0 m-20 -86.06 -1.43 57.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.641 0.608 . . . . 2.2200000000000002 112.641 -172.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.595 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 40.5 pt -99.53 -4.92 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.631 -0.427 . . . . 1.0900000000000001 111.001 178.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.96 15.69 56.19 Favored Glycine 0 CA--C 1.523 0.552 0 CA-C-N 116.236 -0.438 . . . . 1.3999999999999999 114.13 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.446 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 66.62 51.72 39.68 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.795 -0.717 . . . . 1.05 112.683 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.5 mt -81.77 165.44 20.91 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.403 -0.221 . . . . 1.72 110.403 177.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -98.45 148.65 23.5 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.701 -0.481 . . . . 3.77 109.701 174.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.3 p -89.35 151.61 21.97 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.813 -0.63 . . . . 0.56000000000000005 111.722 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.7 t -87.89 119.99 28.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.337 -0.847 . . . . 1.54 108.879 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -59.49 100.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.941 -0.572 . . . . 0.83999999999999997 111.468 -177.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.9 tp -117.4 84.43 2.15 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.346 -0.612 . . . . 1.4199999999999999 109.346 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.413 ' HB3' ' H ' ' A' ' 8' ' ' ILE . 50.7 pttt -117.31 119.66 35.81 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.36 0.6 . . . . 2.4300000000000002 110.68 -177.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.53 -163.63 35.01 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.506 -0.77 . . . . 0.37 111.281 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.449 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 22.3 ttt180 -103.25 109.02 20.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.898 0.349 . . . . 3.27 110.416 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -153.82 173.5 15.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.399 -0.364 . . . . 1.98 111.045 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -79.54 153.5 29.48 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.686 -0.688 . . . . 1.8600000000000001 110.054 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.546 HD13 HG21 ' A' ' 24' ' ' THR . 61.1 tp -57.48 -50.53 72.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.585 0.231 . . . . 1.1799999999999999 111.509 -175.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 tm0? -60.88 -44.82 96.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 2.3900000000000001 110.654 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.69 -39.36 88.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.436 -0.347 . . . . 1.3300000000000001 111.572 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.3 t -60.33 -49.6 76.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.3 -0.409 . . . . 1.21 110.103 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.38 -40.05 85.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.101 -0.5 . . . . 0.69999999999999996 110.454 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -57.56 -46.73 83.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.518 -0.764 . . . . 3.3799999999999999 110.934 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.0 mt -76.58 -41.11 34.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.031 -0.531 . . . . 1.24 111.448 -175.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.8 -43.59 71.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 1.6299999999999999 111.231 -175.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.546 ' HG ' ' HB3' ' A' ' 64' ' ' TYR . 4.6 mm? -73.17 -47.02 47.29 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.506 0.558 . . . . 2.1699999999999999 112.506 -174.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -50.07 117.92 2.62 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.471 0.653 . . . . 2.2999999999999998 111.567 -177.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.03 -14.94 11.11 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.623 -0.717 . . . . 1.4199999999999999 112.247 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 47.9 p -89.88 -8.78 51.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.702 0.287 . . . . 1.25 111.646 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.1 2.95 89.43 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.554 -0.831 . . . . 1.3500000000000001 112.678 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.7 mt -102.39 164.66 11.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.779 0.323 . . . . 1.28 110.479 -177.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -116.73 132.07 56.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.11 -0.496 . . . . 4.21 109.987 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.546 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 31.1 p90 -100.41 118.21 36.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.243 0.544 . . . . 1.3700000000000001 110.801 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -108.66 134.23 51.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.613 -0.721 . . . . 2.6400000000000001 109.817 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.0 tt -113.82 130.97 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.267 0.556 . . . . 1.28 111.053 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -132.32 98.47 4.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.548 -0.751 . . . . 2.29 109.934 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.31 -98.44 0.32 Allowed Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.976 -0.631 . . . . 1.3 112.177 -175.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -124.89 22.44 8.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.835 0.826 . . . . 2.3500000000000001 109.229 175.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.8 m -111.58 130.91 55.59 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.744 -1.116 . . . . 0.96999999999999997 109.496 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.4 t -119.21 125.7 74.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.897 -0.409 . . . . 0.68000000000000005 109.897 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 m -113.67 116.71 29.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.941 0.4 . . . . 0.80000000000000004 110.557 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.9 t -97.94 103.53 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.984 -0.553 . . . . 1.01 110.112 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.2 t . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 116.027 -0.533 . . . . 1.8700000000000001 110.438 -176.523 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.492 ' HB3' ' HG2' ' A' ' 46' ' ' ARG . 11.9 mt-10 . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 109.41 -0.589 . . . . 1.99 109.41 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.541 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 20.9 m-90 -134.32 159.28 41.49 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.793 -0.447 . . . . 1.1699999999999999 109.793 -178.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.1 m -91.12 98.24 11.63 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.598 -0.89 . . . . 1.1299999999999999 108.598 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.2 mt -97.56 151.81 19.67 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.39 -0.823 . . . . 0.75 110.704 -173.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -138.52 98.3 3.55 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.055 -0.721 . . . . 2.1200000000000001 109.055 175.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.468 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 1.8 mp -102.75 124.76 37.8 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.557 -0.747 . . . . 0.91000000000000003 110.776 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.756 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 49.4 Cg_exo -59.18 162.12 14.78 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.673 2.915 . . . . 0.34999999999999998 113.448 179.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -110.83 25.5 11.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.464 -0.789 . . . . 0.42999999999999999 109.741 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -106.53 -158.85 0.67 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.474 -1.239 . . . . 1.6100000000000001 108.971 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.8 m -50.2 132.02 23.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.012 0.434 . . . . 1.3 110.854 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.2 ttm -51.34 -25.22 5.61 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.273 -0.876 . . . . 1.29 111.191 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.588 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 39.1 t-20 -53.38 -44.99 69.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.518 -0.764 . . . . 2.2599999999999998 110.459 176.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 m -77.45 -34.71 54.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.917 0.389 . . . . 1.2 110.453 -178.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.756 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.46 -41.52 97.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.38 111.046 177.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.3 mt -65.15 -40.76 94.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.21 -0.45 . . . . 0.92000000000000004 110.457 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 14' ' ' ASN . 77.5 mt-30 -60.34 -40.17 89.71 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.88 0.371 . . . . 2.1899999999999999 110.276 176.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.695 ' O ' ' HB2' ' A' ' 23' ' ' GLN . . . -66.61 -41.12 88.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.897 -0.592 . . . . 0.31 111.031 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.425 HD21 HD11 ' A' ' 8' ' ' ILE . 20.1 mt -67.02 -35.38 79.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.763 0.315 . . . . 1.03 110.968 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB2' HD11 ' A' ' 28' ' ' LEU . . . -60.11 -63.06 1.43 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.671 -0.695 . . . . 0.44 110.599 -177.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.41 -25.96 68.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 3.4100000000000001 111.064 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.695 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 2.0 tp-100 -61.65 -41.8 98.02 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.183 -0.462 . . . . 1.52 110.868 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.7 p -121.74 19.44 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.76000000000000001 111.471 -175.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 41.49 42.03 1.79 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.004 0.922 . . . . 2.1099999999999999 112.304 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.7 p -98.34 170.58 8.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 0.76000000000000001 111.333 -176.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.89 HE21 ' HA ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -106.62 135.75 47.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.071 -0.513 . . . . 2.3900000000000001 110.093 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 21' ' ' ALA . 72.3 mt -103.61 131.72 50.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.944 0.402 . . . . 1.51 110.988 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.9 tp -122.3 101.79 7.72 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.62 -0.718 . . . . 2.0299999999999998 109.745 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -168.0 162.53 13.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.141 -0.482 . . . . 0.95999999999999996 110.339 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 14.1 m -102.47 111.39 64.57 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.244 -0.65 . . . . 1.78 109.244 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.532 ' O ' HG12 ' A' ' 35' ' ' ILE . 51.2 Cg_exo -54.18 -38.91 88.01 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.736 2.957 . . . . 1.3700000000000001 114.047 -171.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.85 -16.99 59.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.78 0.324 . . . . 2.96 111.436 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.422 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 4.9 m-20 -89.91 -0.26 57.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.257 0.465 . . . . 2.2200000000000002 112.257 -173.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 32' ' ' PRO . 36.6 pt -98.83 0.26 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.755 -0.378 . . . . 1.0900000000000001 110.651 178.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.44 19.89 49.16 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.821 -0.627 . . . . 1.3999999999999999 114.049 173.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 55.73 37.72 69.94 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.168 -0.539 . . . . 1.05 112.69 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 91.5 mt -68.35 126.7 30.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.578 -0.527 . . . . 1.72 109.578 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -80.47 137.88 36.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.473 0.654 . . . . 3.77 111.148 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.4 p -92.5 163.37 13.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.126 -0.943 . . . . 0.56000000000000005 110.678 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 m -87.12 140.47 29.52 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.735 -0.839 . . . . 1.54 108.735 173.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.535 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -57.57 101.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.527 0.517 . . . . 0.83999999999999997 110.799 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.417 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 20.3 tp -110.13 98.88 8.05 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.52 -0.548 . . . . 1.4199999999999999 109.52 -178.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.502 ' HE3' ' HB2' ' A' ' 44' ' ' LYS . 15.1 ptmt -136.86 122.89 20.27 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.349 0.595 . . . . 2.4300000000000002 111.132 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.53 -163.69 33.64 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.239 -0.891 . . . . 0.37 111.059 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.541 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 31.4 ttp180 -95.92 95.88 8.54 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.416 -0.587 . . . . 3.27 109.416 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -138.76 163.06 33.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.944 0.402 . . . . 1.98 111.467 -174.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -78.95 154.98 29.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.238 -0.892 . . . . 1.8600000000000001 109.287 173.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.513 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 61.2 tp -56.85 -47.7 79.79 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.067 0.46 . . . . 1.1799999999999999 110.639 -177.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -62.71 -34.85 77.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.794 -0.639 . . . . 2.3900000000000001 110.651 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.402 ' O ' HG13 ' A' ' 55' ' ' ILE . 46.5 t -61.64 -46.43 89.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.793 -0.639 . . . . 1.3300000000000001 109.829 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.7 t -60.85 -44.65 96.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 1.21 110.648 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.61 -43.01 98.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.69999999999999996 111.103 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -66.73 -43.71 83.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.515 . . . . 3.3799999999999999 111.464 -176.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 51' ' ' SER . 79.8 mt -63.76 -44.46 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.829 0.347 . . . . 1.24 110.71 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.461 HD11 HG21 ' A' ' 8' ' ' ILE . 82.8 mt -70.58 -51.76 26.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 1.6299999999999999 111.869 -177.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.438 HD22 ' HB3' ' A' ' 64' ' ' TYR . 7.6 mp -95.12 23.22 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.586 0.232 . . . . 2.1699999999999999 111.536 -175.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -50.45 -55.91 13.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 2.2999999999999998 111.411 177.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.59 41.53 1.23 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.656 -0.783 . . . . 1.4199999999999999 112.498 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.3 p -87.32 -6.53 58.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.783 0.325 . . . . 1.25 111.772 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.79 -8.62 61.65 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.708 -0.758 . . . . 1.3500000000000001 112.498 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.9 mt -109.84 160.05 16.69 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.552 -0.536 . . . . 1.28 109.552 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -116.64 136.33 53.06 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.976 0.417 . . . . 4.21 110.855 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.438 ' HB3' HD22 ' A' ' 57' ' ' LEU . 22.4 p90 -99.19 145.47 27.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.598 -0.728 . . . . 1.3700000000000001 109.966 178.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.541 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 35.5 tt0 -139.83 134.75 32.18 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.495 -0.557 . . . . 2.6400000000000001 109.495 176.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.9 tt -120.04 135.43 60.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.977 0.418 . . . . 1.28 110.547 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -150.43 117.47 5.94 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.081 -0.711 . . . . 2.29 109.081 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.31 -107.08 1.74 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.629 -0.796 . . . . 1.3 111.365 -174.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -127.15 23.5 6.48 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.218 0.532 . . . . 2.3500000000000001 109.695 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.7 m -107.86 132.72 53.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.704 -0.68 . . . . 0.96999999999999997 110.648 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.5 t -112.48 117.63 55.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.526 -0.761 . . . . 0.68000000000000005 109.556 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.541 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 26.3 m -107.94 131.47 54.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.815 0.34 . . . . 0.80000000000000004 110.698 -176.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.1 t -114.97 106.44 20.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.175 -0.466 . . . . 1.01 109.905 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.323 -0.57 0 CA-C-N 116.16 -0.473 . . . . 1.8700000000000001 110.369 -178.734 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 . . . . . 0 N--CA 1.449 -0.483 0 N-CA-C 109.93 -0.396 . . . . 1.99 109.93 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 20.2 m-90 -126.09 155.58 41.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.2 -0.454 . . . . 1.1699999999999999 110.78 -173.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.4 m -90.19 98.13 11.59 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.446 -0.946 . . . . 1.1299999999999999 108.446 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.664 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 75.6 mt -109.24 111.08 22.47 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.317 -0.856 . . . . 0.75 110.84 -171.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -96.82 97.84 9.63 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.368 -0.975 . . . . 2.1200000000000001 108.368 172.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.8 mm -98.5 123.98 48.19 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.939 -0.573 . . . . 0.91000000000000003 110.926 -172.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 52.5 Cg_exo -56.06 156.44 20.18 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.248 2.632 . . . . 0.34999999999999998 113.137 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.834 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -113.9 30.79 6.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.96 0.886 . . . . 0.42999999999999999 109.436 -178.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.598 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 9.3 pt20 -114.6 -157.42 0.63 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.432 -1.258 . . . . 1.6100000000000001 109.448 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.5 t -48.26 127.29 12.53 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.181 0.515 . . . . 1.3 110.47 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.608 ' HG2' ' HB3' ' A' ' 40' ' ' SER . 51.1 mtt -50.19 -25.48 3.65 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.129 -0.941 . . . . 1.29 112.252 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -56.16 -37.44 69.53 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.106 0.254 . . . . 2.2599999999999998 110.731 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.0 m -81.91 -46.1 14.53 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.916 0.388 . . . . 1.2 110.493 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.539 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -63.64 -46.49 85.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.665 -0.698 . . . . 0.38 112.101 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.0 mt -68.44 -37.25 80.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.558 -0.292 . . . . 0.92000000000000004 110.639 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -61.76 -42.41 98.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.144 0.497 . . . . 2.1899999999999999 110.182 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.1 88.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.779 -0.646 . . . . 0.31 110.94 178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.8 tp -65.13 -40.87 95.06 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.138 -0.483 . . . . 1.03 110.035 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.36 74.33 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.101 -0.954 . . . . 0.44 110.234 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.82 -49.06 77.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.618 -0.719 . . . . 3.4100000000000001 111.732 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -67.45 -19.27 65.34 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.518 0.562 . . . . 1.52 112.518 -172.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.9 p -115.01 2.62 14.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.187 0.518 . . . . 0.76000000000000001 111.003 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 t70 48.46 52.07 14.25 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.694 -1.139 . . . . 2.1099999999999999 110.769 -174.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.9 p -111.71 159.46 18.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.659 -0.701 . . . . 0.76000000000000001 111.163 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -103.35 109.47 21.1 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.542 -0.753 . . . . 2.3900000000000001 109.106 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.407 HD23 ' HB ' ' A' ' 71' ' ' VAL . 78.6 mt -102.77 121.14 41.85 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.936 0.398 . . . . 1.51 110.392 -177.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' HB3' ' HA ' ' A' ' 72' ' ' THR . 1.8 tm? -103.26 107.67 18.58 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.391 -0.966 . . . . 2.0299999999999998 108.391 178.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -142.67 154.22 44.13 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.127 -0.488 . . . . 0.95999999999999996 110.083 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 t -100.19 111.62 62.65 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.304 -0.407 . . . . 1.78 110.609 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.01 -28.2 87.21 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.946 2.431 . . . . 1.3700000000000001 111.712 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -75.73 -27.18 58.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.879 -0.6 . . . . 2.96 111.291 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -88.5 -19.93 25.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.598 0.237 . . . . 2.2200000000000002 111.571 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.468 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 23.0 pt -92.26 -18.87 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.838 -0.43 . . . . 1.0900000000000001 109.838 174.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.24 2.75 20.96 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.936 -0.574 . . . . 1.3999999999999999 113.368 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.82 39.91 38.02 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.912 -0.661 . . . . 1.05 112.346 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 3.9 pp -92.41 172.69 8.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.604 -0.517 . . . . 1.72 109.604 178.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.598 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 8.8 ptp180 -82.44 137.65 34.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.345 0.593 . . . . 3.77 111.949 -174.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.608 ' HB3' ' HG2' ' A' ' 13' ' ' MET . 11.1 p -88.06 166.68 14.27 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.009 -0.996 . . . . 0.56000000000000005 110.645 175.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 m -85.95 115.41 23.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.768 -0.651 . . . . 1.54 109.82 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.834 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -61.21 105.88 0.55 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.869 -0.605 . . . . 0.83999999999999997 111.316 -177.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.9 tp -110.91 82.94 1.67 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.205 -0.665 . . . . 1.4199999999999999 109.205 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.664 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 23.5 pttm -103.53 110.41 22.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.842 -0.617 . . . . 2.4300000000000002 111.134 -174.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.52 -162.28 34.03 Favored Glycine 0 N--CA 1.453 -0.228 0 CA-C-N 115.638 -0.71 . . . . 0.37 111.829 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -93.35 108.15 19.86 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.062 -0.718 . . . . 3.27 109.062 176.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -138.65 151.26 47.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.879 0.371 . . . . 1.98 110.933 -174.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -84.75 161.93 19.82 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.797 -0.816 . . . . 1.8600000000000001 108.797 171.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 58.7 tp -56.71 -52.05 66.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.947 0.403 . . . . 1.1799999999999999 110.401 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -58.23 -43.52 87.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.661 -0.699 . . . . 2.3900000000000001 110.908 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.2 m -62.26 -46.45 88.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.98 -0.555 . . . . 1.3300000000000001 110.818 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.9 m -60.13 -45.09 94.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 1.21 110.875 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 92.9 mt -60.88 -49.47 77.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.54 . . . . 0.69999999999999996 111.425 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.47 -42.14 95.59 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.429 0.529 . . . . 3.3799999999999999 112.429 -174.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.8 -41.21 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.946 -0.302 . . . . 1.24 110.954 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 tt -71.09 -35.91 72.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.355 0.598 . . . . 1.6299999999999999 109.913 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.766 HD22 ' HD2' ' A' ' 64' ' ' TYR . 12.6 tp -72.68 -15.71 61.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.529 -0.76 . . . . 2.1699999999999999 111.266 -177.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -56.3 -34.33 66.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.861 -0.608 . . . . 2.2999999999999998 111.694 -176.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -116.44 11.89 16.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.248 -0.977 . . . . 1.4199999999999999 113.346 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' A' ' 57' ' ' LEU . 20.4 p -102.95 -7.85 21.14 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.567 0.58 . . . . 1.25 112.567 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.89 19.05 35.31 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 121.265 -0.493 . . . . 1.3500000000000001 114.177 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.8 mt -105.98 179.87 4.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.946 0.373 . . . . 1.28 110.392 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.514 ' HA ' HD21 ' A' ' 57' ' ' LEU . 26.5 mmt180 -129.37 163.15 26.4 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.796 -0.446 . . . . 4.21 109.796 178.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.766 ' HD2' HD22 ' A' ' 57' ' ' LEU . 45.7 p90 -124.93 130.68 52.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.206 0.527 . . . . 1.3700000000000001 111.321 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -107.61 112.72 25.59 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.144 -0.688 . . . . 2.6400000000000001 109.144 171.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.8 tt -115.58 129.77 71.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.263 0.554 . . . . 1.28 111.452 -173.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -144.38 115.34 7.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.915 -0.584 . . . . 2.29 109.594 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.61 -104.16 0.88 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.711 -0.757 . . . . 1.3 112.017 -175.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -122.72 13.92 10.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.309 0.576 . . . . 2.3500000000000001 109.659 175.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.6 m -103.29 126.64 50.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.729 -0.668 . . . . 0.96999999999999997 110.135 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.407 ' HB ' HD23 ' A' ' 28' ' ' LEU . 21.3 t -125.61 120.16 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.836 -0.62 . . . . 0.68000000000000005 109.992 -178.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.462 ' HA ' ' HB3' ' A' ' 29' ' ' LEU . 59.0 m -109.91 116.1 31.02 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.276 -0.42 . . . . 0.80000000000000004 110.126 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.1 t -81.37 122.01 35.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.377 -0.601 . . . . 1.01 109.377 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.321 -0.648 0 CA-C-O 120.972 0.415 . . . . 1.8700000000000001 110.855 -173.924 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 . . . . . 0 CA--C 1.517 -0.309 0 CA-C-O 121.428 0.633 . . . . 1.99 111.079 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.413 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 24.8 m-90 -109.71 138.15 46.49 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.042 -0.981 . . . . 1.1699999999999999 109.23 176.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -90.72 97.04 10.94 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.415 -0.957 . . . . 1.1299999999999999 108.415 175.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.7 mt -102.04 157.02 17.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.057 -0.974 . . . . 0.75 111.488 -170.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -141.07 98.94 3.48 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.458 -0.941 . . . . 2.1200000000000001 108.458 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 94.2 mt -108.18 122.81 39.44 Favored Pre-proline 0 C--N 1.315 -0.893 0 CA-C-N 115.467 -0.788 . . . . 0.91000000000000003 111.048 -173.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 49.0 Cg_exo -59.84 156.45 38.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 123.896 3.064 . . . . 0.34999999999999998 114.018 -177.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -104.62 32.56 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.005 -0.998 . . . . 0.42999999999999999 109.148 173.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -100.46 -155.56 0.52 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.473 -1.24 . . . . 1.6100000000000001 109.079 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 m -53.56 137.85 35.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.17 0.51 . . . . 1.3 110.331 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 51.3 tpp -49.97 -29.3 8.23 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.024 -0.989 . . . . 1.29 111.526 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -54.65 -40.77 69.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.693 -0.685 . . . . 2.2599999999999998 111.16 176.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.6 m -75.95 -38.61 57.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.577 0.227 . . . . 1.2 110.607 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.43 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -57.74 -51.01 71.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.38 110.755 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.65 -43.37 84.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.884 -0.598 . . . . 0.92000000000000004 110.639 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.53 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 34.5 tt0 -59.81 -45.55 92.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.119 -0.491 . . . . 2.1899999999999999 110.543 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.16 -35.01 78.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 0.31 110.976 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.6 tp -65.5 -42.13 92.44 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.9 0.381 . . . . 1.03 110.768 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.03 -46.27 88.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.587 -0.733 . . . . 0.44 110.631 -175.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 25.4 mtpp -63.83 -34.61 78.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.23 -0.896 . . . . 3.4100000000000001 111.335 -178.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -86.72 -23.85 25.38 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.782 0.66 . . . . 1.52 112.782 -172.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.8 p -113.65 6.68 17.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.177 -0.609 . . . . 0.76000000000000001 112.22 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 57.51 35.79 26.21 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.138 -0.483 . . . . 2.1099999999999999 111.539 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.6 p -103.31 159.65 15.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.049 0.452 . . . . 0.76000000000000001 111.782 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -103.58 119.09 38.2 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.212 -0.662 . . . . 2.3900000000000001 109.212 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.502 HD23 ' HB ' ' A' ' 71' ' ' VAL . 65.2 mt -107.66 122.3 46.43 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.362 0.601 . . . . 1.51 111.589 -173.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' A' ' 72' ' ' THR . 1.1 tm? -110.53 93.82 4.69 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 107.515 -1.291 . . . . 2.0299999999999998 107.515 174.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.538 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 40.3 p90 -117.6 162.8 17.42 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.186 -0.461 . . . . 0.95999999999999996 110.53 -174.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.439 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 23.5 m -106.25 95.28 11.05 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.503 -0.771 . . . . 1.78 110.476 -178.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.538 ' HD3' ' O ' ' A' ' 30' ' ' TYR . 17.1 Cg_exo -66.72 -37.13 22.13 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.756 2.304 . . . . 1.3700000000000001 112.273 -177.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.07 -30.11 63.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.189 0.518 . . . . 2.96 109.848 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 25.5 t70 -80.34 -18.06 50.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.446 -0.797 . . . . 2.2200000000000002 111.598 -176.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.459 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 45.2 pt -90.64 -20.37 6.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.093 -0.643 . . . . 1.0900000000000001 110.1 177.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.16 32.64 72.02 Favored Glycine 0 C--N 1.334 0.424 0 CA-C-N 115.288 -0.869 . . . . 1.3999999999999999 114.045 169.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.78 87.08 0.55 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.838 -0.696 . . . . 1.05 112.505 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.2 mt -119.51 159.03 25.1 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.163 -0.31 . . . . 1.72 110.163 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.39 139.87 49.62 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.517 -0.549 . . . . 3.77 109.517 170.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.427 ' OG ' ' HB2' ' A' ' 16' ' ' ALA . 5.1 p -92.57 159.67 15.38 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.556 -0.747 . . . . 0.56000000000000005 111.348 -176.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.6 t -88.29 127.03 35.46 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 107.933 -1.136 . . . . 1.54 107.933 170.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -53.26 110.8 0.59 Allowed 'General case' 0 C--O 1.236 0.362 0 O-C-N 123.642 0.589 . . . . 0.83999999999999997 111.213 -175.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 43' ' ' LEU . 1.9 tm? -110.23 86.0 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.347 -0.982 . . . . 1.4199999999999999 108.347 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.51 110.89 15.63 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.49 -0.777 . . . . 2.4300000000000002 110.429 -175.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.72 -163.57 35.52 Favored Glycine 0 N--CA 1.442 -0.96 0 CA-C-N 115.523 -0.762 . . . . 0.37 111.444 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 78.8 mtp180 -102.23 110.42 22.37 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.638 -0.505 . . . . 3.27 109.638 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -144.24 156.96 44.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.492 -0.322 . . . . 1.98 110.488 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.94 162.28 26.1 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.246 -0.65 . . . . 1.8600000000000001 109.246 173.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.59 -56.02 26.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.677 0.217 . . . . 1.1799999999999999 111.213 -174.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -58.32 -40.33 81.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.934 0.397 . . . . 2.3900000000000001 111.143 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.467 ' O ' HG13 ' A' ' 55' ' ' ILE . 4.3 m -61.83 -45.85 92.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.74 -0.664 . . . . 1.3300000000000001 110.775 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -61.05 -41.11 95.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.037 -0.528 . . . . 1.21 110.953 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 97.8 mt -64.72 -39.99 94.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.064 -0.516 . . . . 0.69999999999999996 110.816 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -65.19 -39.26 92.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.975 -0.557 . . . . 3.3799999999999999 111.144 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 51' ' ' SER . 67.8 mt -64.42 -52.47 54.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.654 0.264 . . . . 1.24 111.232 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.79 -38.34 81.63 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.292 0.478 . . . . 1.6299999999999999 112.292 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.441 ' HA ' ' OG1' ' A' ' 60' ' ' THR . 8.4 mp -104.37 11.63 34.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.292 0.478 . . . . 2.1699999999999999 112.292 -174.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -56.37 -44.1 79.83 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.618 0.599 . . . . 2.2999999999999998 112.618 -177.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.28 16.29 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.06 -1.067 . . . . 1.4199999999999999 113.271 -173.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 57' ' ' LEU . 11.8 p -96.17 2.23 52.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.867 0.365 . . . . 1.25 111.617 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.68 22.3 63.89 Favored Glycine 0 C--N 1.333 0.361 0 C-N-CA 121.139 -0.553 . . . . 1.3500000000000001 113.285 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.7 mt -100.7 158.94 15.58 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.973 -0.38 . . . . 1.28 109.973 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.498 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 4.5 mmp_? -120.99 127.3 51.65 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.801 0.334 . . . . 4.21 110.196 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.405 ' HB3' HD22 ' A' ' 57' ' ' LEU . 39.7 p90 -100.42 117.6 34.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.768 -0.651 . . . . 1.3700000000000001 109.635 177.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.473 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 49.1 tt0 -106.57 115.44 30.2 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 109.505 -0.554 . . . . 2.6400000000000001 109.505 178.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.3 tt -98.95 114.95 38.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.563 0.697 . . . . 1.28 110.121 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -119.94 99.54 6.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.932 -1.031 . . . . 2.29 109.422 -176.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.52 -103.36 0.67 Allowed Glycine 0 CA--C 1.519 0.296 0 C-N-CA 121.034 -0.603 . . . . 1.3 112.061 -174.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -112.73 9.16 19.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.256 0.551 . . . . 2.3500000000000001 109.949 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 m -105.73 136.78 44.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.702 -0.681 . . . . 0.96999999999999997 110.527 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.502 ' HB ' HD23 ' A' ' 28' ' ' LEU . 47.7 t -119.27 122.28 68.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.405 -0.591 . . . . 0.68000000000000005 109.405 176.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.473 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 15.2 m -103.23 114.96 29.67 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.504 -0.316 . . . . 0.80000000000000004 110.307 -176.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.6 104.02 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.04 -0.527 . . . . 1.01 110.112 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 115.733 -0.667 . . . . 1.8700000000000001 110.022 -178.867 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 . . . . . 0 N--CA 1.451 -0.403 0 N-CA-C 109.735 -0.468 . . . . 1.99 109.735 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.2 m-90 -118.25 149.34 41.28 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.965 -0.561 . . . . 1.1699999999999999 110.498 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.6 m -91.51 98.35 11.62 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 108.019 -1.104 . . . . 1.1299999999999999 108.019 172.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 76.8 mt -112.12 119.13 37.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.632 -0.713 . . . . 0.75 111.597 -170.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.497 ' HA ' ' HB3' ' A' ' 44' ' ' LYS . 14.3 t70 -95.0 115.86 27.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.261 -0.644 . . . . 2.1200000000000001 109.261 169.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.643 HD11 HD23 ' A' ' 20' ' ' LEU . 35.1 mm -105.15 120.95 48.08 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-O 120.753 0.311 . . . . 0.91000000000000003 110.3 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.519 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 32.4 Cg_exo -60.18 146.1 97.06 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 123.166 2.578 . . . . 0.34999999999999998 112.639 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.45 29.64 4.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.635 0.731 . . . . 0.42999999999999999 109.816 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -95.17 -156.76 0.53 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.998 -1.001 . . . . 1.6100000000000001 109.285 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.2 m -53.55 140.73 27.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.034 0.445 . . . . 1.3 110.207 174.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.41 ' HB3' HD12 ' A' ' 35' ' ' ILE . 50.7 tpp -51.14 -33.65 27.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.087 -0.96 . . . . 1.29 111.615 -177.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -55.46 -38.39 68.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 2.2599999999999998 111.024 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.2 t -70.57 -44.11 68.06 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.919 -0.4 . . . . 1.2 109.919 -176.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.519 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.61 -47.02 85.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.867 -0.606 . . . . 0.38 111.009 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.44 ' O ' HD12 ' A' ' 28' ' ' LEU . 96.3 mt -64.86 -50.35 66.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.971 -0.559 . . . . 0.92000000000000004 110.999 -178.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -62.25 -37.44 85.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.786 0.327 . . . . 2.1899999999999999 110.879 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.4 80.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.301 -0.409 . . . . 0.31 110.787 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.643 HD23 HD11 ' A' ' 8' ' ' ILE . 2.7 tm? -66.05 -41.45 90.8 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.352 -0.61 . . . . 1.03 109.352 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.86 -51.55 67.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.47 -0.786 . . . . 0.44 110.199 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -63.29 -51.22 66.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.019 -0.991 . . . . 3.4100000000000001 111.578 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -72.73 -25.55 61.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.691 . . . . 1.52 112.806 -169.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.16 13.15 21.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.22 0.533 . . . . 0.76000000000000001 110.941 -176.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 53.15 62.07 2.85 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.744 -1.116 . . . . 2.1099999999999999 111.189 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.0 p -139.12 165.14 27.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.189 -0.46 . . . . 0.76000000000000001 111.378 -176.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -110.85 123.11 49.47 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.397 -0.594 . . . . 2.3900000000000001 109.397 175.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.556 HD23 ' HB ' ' A' ' 71' ' ' VAL . 76.7 mt -120.43 127.07 51.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.099 0.476 . . . . 1.51 111.065 -176.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -107.64 121.77 45.36 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.825 -0.625 . . . . 2.0299999999999998 109.675 176.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -157.46 151.12 24.06 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.9 -0.591 . . . . 0.95999999999999996 109.972 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 m -106.47 111.35 64.11 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 116.38 -0.373 . . . . 1.78 110.553 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.95 -23.64 69.12 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.993 2.462 . . . . 1.3700000000000001 112.464 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -71.55 -40.94 69.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.784 -0.644 . . . . 2.96 111.326 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -88.03 -5.83 58.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.858 -0.61 . . . . 2.2200000000000002 111.882 -170.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.446 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 29.9 pt -97.3 12.19 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 1.0900000000000001 110.506 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.35 -6.63 5.57 Favored Glycine 0 CA--C 1.52 0.371 0 CA-C-N 115.64 -0.709 . . . . 1.3999999999999999 114.686 170.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.42 49.04 21.39 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.253 -0.975 . . . . 1.05 111.088 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 58.9 mt -83.73 173.24 11.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.531 -0.335 . . . . 1.72 110.166 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.52 144.18 46.22 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.794 -0.447 . . . . 3.77 109.794 174.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 p -90.87 160.85 15.5 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.66 -0.7 . . . . 0.56000000000000005 112.162 -174.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -91.88 134.02 35.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.184 -0.916 . . . . 1.54 109.127 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.19 105.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.83999999999999997 111.457 -176.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 43' ' ' LEU . 1.3 tm? -115.78 99.61 7.43 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.828 -0.805 . . . . 1.4199999999999999 108.828 176.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 30.1 pttt -135.92 126.51 27.05 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.343 0.592 . . . . 2.4300000000000002 111.47 -178.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.61 -162.59 33.57 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 114.891 -1.05 . . . . 0.37 110.654 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.08 97.46 9.95 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.451 -0.574 . . . . 3.27 109.451 177.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -137.48 148.63 46.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.184 -0.462 . . . . 1.98 110.192 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -82.66 179.17 7.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.973 -0.38 . . . . 1.8600000000000001 109.973 175.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 60.6 tp -58.74 -57.28 13.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.472 -0.331 . . . . 1.1799999999999999 111.339 -176.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -63.61 -36.99 85.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.496 -0.32 . . . . 2.3900000000000001 110.911 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.2 t -60.46 -54.31 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.434 -0.348 . . . . 1.3300000000000001 110.583 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.7 p -61.96 -43.62 98.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.259 -0.428 . . . . 1.21 111.389 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 91.0 mt -60.34 -46.65 89.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.593 -0.276 . . . . 0.69999999999999996 111.476 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -61.73 -42.11 98.53 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.858 0.318 . . . . 3.3799999999999999 111.858 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.2 mt -73.49 -45.31 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.679 0.276 . . . . 1.24 111.178 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 tt -68.49 -46.81 68.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 1.6299999999999999 111.128 -175.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 62' ' ' LEU . 22.7 tp -71.07 -36.02 72.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.365 -0.38 . . . . 2.1699999999999999 111.112 -174.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -46.82 111.2 0.36 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.871 -0.604 . . . . 2.2999999999999998 112.389 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.18 -12.74 21.77 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.693 -0.765 . . . . 1.4199999999999999 113.373 175.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.0 p -91.82 -8.12 47.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.088 0.444 . . . . 1.25 112.184 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.59 10.23 84.72 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.663 -0.779 . . . . 1.3500000000000001 113.045 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.749 ' HB2' HD11 ' A' ' 57' ' ' LEU . 64.8 mt -101.05 161.16 13.79 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.964 -0.384 . . . . 1.28 109.964 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 63' ' ' ARG . 49.3 mtt180 -127.34 145.6 50.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.477 -0.329 . . . . 4.21 110.213 177.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -105.9 121.83 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.3 0.571 . . . . 1.3700000000000001 110.901 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.44 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 6.5 tp-100 -97.45 105.88 18.1 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.471 -0.937 . . . . 2.6400000000000001 108.471 171.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.7 tt -101.91 124.7 55.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.487 0.661 . . . . 1.28 111.662 -171.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -126.78 88.85 2.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.541 -0.754 . . . . 2.29 109.585 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.6 -98.2 0.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.731 -0.668 . . . . 1.3 112.693 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -113.08 -0.86 14.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.159 0.504 . . . . 2.3500000000000001 110.543 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.2 m -108.43 132.18 54.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.788 -0.642 . . . . 0.96999999999999997 109.988 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.556 ' HB ' HD23 ' A' ' 28' ' ' LEU . 50.3 t -128.23 130.25 69.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.77 0.319 . . . . 0.68000000000000005 110.412 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.44 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 30.2 m -108.44 112.92 25.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.185 -0.461 . . . . 0.80000000000000004 109.946 178.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -90.29 106.34 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.147 0.498 . . . . 1.01 110.115 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.1 t . . . . . 0 C--N 1.319 -0.741 0 CA-C-N 115.797 -0.638 . . . . 1.8700000000000001 110.55 -177.875 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 . . . . . 0 C--O 1.235 0.328 0 N-CA-C 109.523 -0.547 . . . . 1.99 109.523 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -129.51 154.55 46.9 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.815 -0.809 . . . . 1.1699999999999999 108.815 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 5' ' ' THR . 6.9 t -88.16 97.29 10.91 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.043 -1.095 . . . . 1.1299999999999999 108.043 173.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.739 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 84.0 mt -95.26 94.68 8.02 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.336 -1.302 . . . . 0.75 109.72 -173.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.499 ' HA ' ' CB ' ' A' ' 44' ' ' LYS . 4.7 m-20 -100.93 97.76 8.31 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.826 -1.079 . . . . 2.1200000000000001 108.663 -178.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.533 HD11 HD13 ' A' ' 20' ' ' LEU . 96.0 mt -109.9 125.05 31.99 Favored Pre-proline 0 C--N 1.313 -1.018 0 CA-C-N 115.227 -0.897 . . . . 0.91000000000000003 111.472 -169.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.681 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 45.0 Cg_exo -58.02 158.73 20.38 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 124.077 3.184 . . . . 0.34999999999999998 114.243 -175.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.07 28.94 7.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.787 -1.097 . . . . 0.42999999999999999 109.434 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.444 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 12.2 mt-30 -99.11 -161.79 0.9 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.446 -1.252 . . . . 1.6100000000000001 109.252 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 p -55.47 137.53 48.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.073 0.463 . . . . 1.3 110.077 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.411 ' HB2' HD12 ' A' ' 35' ' ' ILE . 34.7 mtt -50.95 -25.28 4.45 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.354 -0.839 . . . . 1.29 112.655 -178.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -55.38 -43.36 75.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.635 0.255 . . . . 2.2599999999999998 110.497 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.4 m -76.69 -44.58 33.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.1 0.476 . . . . 1.2 110.243 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.681 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.45 -50.78 71.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.588 -0.733 . . . . 0.38 111.907 -176.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.51 -39.16 85.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.258 -0.428 . . . . 0.92000000000000004 110.7 -177.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -65.26 -34.25 77.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.015 0.436 . . . . 2.1899999999999999 110.735 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -66.89 -38.79 86.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.31 110.294 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.533 HD13 HD11 ' A' ' 8' ' ' ILE . 65.2 tp -65.33 -34.69 78.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.826 -0.624 . . . . 1.03 109.74 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.28 95.21 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.415 -0.811 . . . . 0.44 110.248 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -64.5 -47.59 78.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.776 -0.647 . . . . 3.4100000000000001 110.901 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.654 ' OE1' ' HA ' ' A' ' 6' ' ' LEU . 78.1 mt-30 -65.14 -37.26 86.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.773 -0.649 . . . . 1.52 112.579 -171.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.9 p -110.57 18.0 20.16 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.099 -0.375 . . . . 0.76000000000000001 111.356 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 40.95 37.56 0.55 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.096 0.958 . . . . 2.1099999999999999 112.302 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -99.97 167.28 10.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.655 -0.702 . . . . 0.76000000000000001 111.273 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -106.72 118.83 37.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.806 -0.634 . . . . 2.3900000000000001 110.024 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.55 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 8.5 mp -115.01 131.79 56.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.207 0.527 . . . . 1.51 110.713 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 29' ' ' LEU . 3.7 mm? -107.57 116.84 32.67 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.548 -0.751 . . . . 2.0299999999999998 109.537 177.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -152.33 142.88 22.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.955 -0.566 . . . . 0.95999999999999996 109.868 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.9 t -108.14 125.62 31.59 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 116.186 -0.461 . . . . 1.78 109.793 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.33 -28.44 84.73 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.903 2.402 . . . . 1.3700000000000001 111.89 176.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -71.85 -34.22 69.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 2.96 109.945 176.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -79.64 -26.31 41.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.527 -0.76 . . . . 2.2200000000000002 111.027 -173.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.477 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 17.8 pt -93.78 -19.3 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.713 0.292 . . . . 1.0900000000000001 110.831 177.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.58 4.49 65.56 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.066 -0.588 . . . . 1.3999999999999999 113.423 175.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.2 34.75 19.84 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.594 -0.812 . . . . 1.05 112.217 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 90.1 mt -75.98 143.97 41.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.09 -0.337 . . . . 1.72 110.09 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 37.7 ptt180 -90.1 137.93 31.93 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.244 0.545 . . . . 3.77 110.326 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 p -88.5 161.19 17.13 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.485 -0.779 . . . . 0.56000000000000005 111.462 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.1 m -86.54 132.37 33.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.556 -0.747 . . . . 1.54 109.726 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.4 106.16 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.7 -0.682 . . . . 0.83999999999999997 111.997 -174.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 tt -116.82 93.62 4.27 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.146 -1.057 . . . . 1.4199999999999999 108.146 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.739 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 21.5 pttp -131.38 121.21 24.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.398 0.618 . . . . 2.4300000000000002 110.957 -178.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.26 -163.7 35.31 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.583 -0.735 . . . . 0.37 111.678 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -99.95 98.16 8.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.969 0.414 . . . . 3.27 110.094 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -137.74 173.8 11.26 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.089 -0.505 . . . . 1.98 110.186 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -95.43 171.73 8.52 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.057 -0.72 . . . . 1.8600000000000001 109.057 171.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.18 -56.37 22.37 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.884 0.327 . . . . 1.1799999999999999 111.884 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -57.81 -49.29 77.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 2.3900000000000001 112.229 -174.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.6 m -61.79 -39.22 90.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.713 0.292 . . . . 1.3300000000000001 111.624 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.3 m -61.13 -41.2 96.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.559 -0.291 . . . . 1.21 110.981 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.89 -34.34 77.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.69999999999999996 110.74 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.4 ' HD2' ' OH ' ' A' ' 64' ' ' TYR . 27.2 mmm180 -59.57 -51.01 71.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 3.3799999999999999 111.02 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.5 mt -80.61 -31.63 12.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.152 -0.476 . . . . 1.24 111.645 -174.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.461 ' HB3' HD22 ' A' ' 57' ' ' LEU . 3.5 tt -65.89 -46.72 77.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.469 -0.332 . . . . 1.6299999999999999 110.927 -175.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.807 HD12 ' HB2' ' A' ' 62' ' ' LEU . 3.0 mm? -86.16 -18.39 32.37 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 121.092 -0.243 . . . . 2.1699999999999999 111.03 -177.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -50.19 101.01 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 2.2999999999999998 111.943 174.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.27 -17.91 26.08 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.553 -0.832 . . . . 1.4199999999999999 113.582 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.9 p -92.68 -2.64 55.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.277 0.539 . . . . 1.25 111.811 -176.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.5 19.84 67.21 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 121.135 -0.555 . . . . 1.3500000000000001 113.705 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.807 ' HB2' HD12 ' A' ' 57' ' ' LEU . 59.5 mt -92.22 154.48 18.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.388 -0.478 . . . . 1.28 110.277 -179.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -112.89 125.16 54.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.962 -0.563 . . . . 4.21 109.724 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.4 ' OH ' ' HD2' ' A' ' 54' ' ' ARG . 44.0 p90 -113.51 122.97 48.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.244 0.545 . . . . 1.3700000000000001 111.311 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.441 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 1.2 mp0 -100.26 107.7 19.59 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.957 -0.757 . . . . 2.6400000000000001 108.957 174.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.5 tt -109.5 125.73 66.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.061 0.458 . . . . 1.28 110.756 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -145.99 122.74 11.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.833 -0.621 . . . . 2.29 109.85 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.55 -108.03 1.65 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.707 . . . . 1.3 112.192 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.3 p-10 -121.45 17.89 11.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.457 0.646 . . . . 2.3500000000000001 109.996 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 31.5 m -113.93 132.19 56.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.394 -0.821 . . . . 0.96999999999999997 110.383 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.55 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 47.4 t -128.97 128.81 67.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.209 -0.451 . . . . 0.68000000000000005 110.046 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.441 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 22.9 m -114.62 119.08 35.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.834 -0.432 . . . . 0.80000000000000004 109.834 178.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.0 t -113.34 112.99 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.487 -0.324 . . . . 1.01 110.483 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 116.073 -0.512 . . . . 1.8700000000000001 110.57 -179.943 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 . . . . . 0 N--CA 1.45 -0.451 0 N-CA-C 109.583 -0.525 . . . . 1.99 109.583 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.532 ' HZ3' ' H ' ' A' ' 49' ' ' LEU . 30.1 m-90 -126.45 150.43 48.69 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.488 -0.56 . . . . 1.1699999999999999 109.488 179.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 m -88.73 99.29 12.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.962 -0.755 . . . . 1.1299999999999999 108.962 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.662 ' HA ' HE22 ' A' ' 23' ' ' GLN . 70.2 mt -101.49 148.59 25.01 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.863 -0.608 . . . . 0.75 111.65 -170.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -139.1 106.51 5.54 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.275 -1.009 . . . . 2.1200000000000001 108.275 173.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.489 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 87.0 mt -115.09 125.74 28.61 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.458 -0.792 . . . . 0.91000000000000003 111.187 -169.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.633 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 47.5 Cg_exo -58.52 156.63 30.55 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.646 2.897 . . . . 0.34999999999999998 113.708 -177.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.542 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -109.94 22.21 15.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.053 -0.976 . . . . 0.42999999999999999 109.676 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.54 HE21 ' CB ' ' A' ' 15' ' ' SER . 11.6 pt20 -99.43 -150.9 0.38 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.982 -1.008 . . . . 1.6100000000000001 109.079 178.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.3 t -51.08 131.96 27.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.163 0.506 . . . . 1.3 110.94 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.43 ' HB3' HD12 ' A' ' 35' ' ' ILE . 46.7 tpp -50.41 -28.37 8.04 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 114.922 -1.036 . . . . 1.29 110.895 178.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.433 HD22 ' HB3' ' A' ' 32' ' ' PRO . 23.3 t-20 -53.51 -42.61 67.52 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.541 -0.754 . . . . 2.2599999999999998 111.266 177.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.54 ' CB ' HE21 ' A' ' 11' ' ' GLN . 8.5 m -78.23 -39.23 41.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.834 0.349 . . . . 1.2 110.58 -176.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.633 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -59.29 -45.18 91.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 0.38 111.257 -178.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.3 mt -65.44 -41.11 93.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.124 -0.489 . . . . 0.92000000000000004 110.985 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -65.58 -37.21 86.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.661 0.267 . . . . 2.1899999999999999 111.083 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.547 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -65.83 -41.83 91.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.31 110.698 178.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.485 HD13 HD11 ' A' ' 8' ' ' ILE . 67.0 tp -65.73 -35.07 79.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 1.03 110.148 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.429 ' HB2' HD13 ' A' ' 28' ' ' LEU . . . -62.0 -58.3 8.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.225 -0.898 . . . . 0.44 111.034 -176.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -65.74 -22.14 66.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.957 -0.565 . . . . 3.4100000000000001 112.034 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.662 HE22 ' HA ' ' A' ' 6' ' ' LEU . 7.9 mt-30 -83.36 -22.58 32.76 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.634 -0.426 . . . . 1.52 111.748 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.6 p -116.54 1.54 12.93 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.758 -0.377 . . . . 0.76000000000000001 111.886 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.9 t70 57.52 47.06 16.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.485 -0.78 . . . . 2.1099999999999999 110.344 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 p -114.48 156.26 24.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.771 -0.65 . . . . 0.76000000000000001 110.89 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -104.09 120.31 40.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.605 -0.517 . . . . 2.3900000000000001 109.605 177.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.429 HD13 ' HB2' ' A' ' 21' ' ' ALA . 10.5 mp -110.19 130.5 55.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.173 0.511 . . . . 1.51 110.941 -176.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.8 tp -112.54 111.24 21.92 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.559 -0.746 . . . . 2.0299999999999998 109.453 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -151.98 151.36 31.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.379 -0.373 . . . . 0.95999999999999996 110.163 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.438 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 50.6 m -96.21 107.48 35.47 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.463 -0.569 . . . . 1.78 109.463 177.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 31' ' ' SER . 35.6 Cg_exo -59.8 -37.1 88.76 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.54 2.826 . . . . 1.3700000000000001 113.641 -172.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -79.23 -22.48 44.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.315 0.579 . . . . 2.96 110.523 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -81.69 -15.67 53.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.767 -0.651 . . . . 2.2200000000000002 110.892 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.43 HD12 ' HB3' ' A' ' 13' ' ' MET . 24.6 pt -97.55 13.78 4.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.179 0.514 . . . . 1.0900000000000001 109.868 177.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.2 -17.05 1.92 Allowed Glycine 0 C--N 1.334 0.426 0 CA-C-N 115.575 -0.739 . . . . 1.3999999999999999 114.225 172.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.18 37.78 48.13 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.139 -1.029 . . . . 1.05 111.139 -174.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' A' ' 38' ' ' LEU . 3.8 pp -84.87 161.77 19.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.533 -0.543 . . . . 1.72 109.533 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 5.2 ptp180 -80.57 142.38 34.15 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.234 0.54 . . . . 3.77 111.048 -177.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.4 p -89.85 160.11 16.64 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.183 -0.917 . . . . 0.56000000000000005 110.553 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -87.64 124.67 33.78 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.099 -0.704 . . . . 1.54 109.099 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.542 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -56.82 108.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.831 -0.622 . . . . 0.83999999999999997 111.434 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.9 tp -111.27 87.24 2.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.45 0.643 . . . . 1.4199999999999999 109.627 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -115.93 117.56 30.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.651 -0.704 . . . . 2.4300000000000002 110.56 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.58 -163.58 34.91 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.204 -0.758 . . . . 0.37 111.204 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.532 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 38.4 ttp180 -115.62 103.06 10.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 117.406 0.603 . . . . 3.27 109.768 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -142.83 171.75 13.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.817 0.341 . . . . 1.98 111.183 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -72.35 164.63 26.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.487 -0.779 . . . . 1.8600000000000001 110.249 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.532 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 64.2 tp -60.71 -58.32 8.96 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.103 0.478 . . . . 1.1799999999999999 110.006 176.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -61.9 -34.32 75.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.428 -0.805 . . . . 2.3900000000000001 111.185 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.2 t -62.28 -49.99 73.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.264 -0.425 . . . . 1.3300000000000001 110.25 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.6 m -61.64 -42.25 98.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 1.21 111.106 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 96.0 mt -56.89 -44.33 82.2 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.866 0.365 . . . . 0.69999999999999996 110.767 177.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 54' ' ' ARG . 41.5 ttp180 -60.29 -47.28 86.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.98 -0.555 . . . . 3.3799999999999999 111.149 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.4 mt -64.18 -47.13 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.788 0.328 . . . . 1.24 111.503 -178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.535 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -69.25 -35.4 76.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.916 0.389 . . . . 1.6299999999999999 110.912 -176.086 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.535 HD12 ' HB3' ' A' ' 56' ' ' LEU . 8.4 mp -106.49 20.86 18.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.721 -0.218 . . . . 2.1699999999999999 111.54 -177.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -52.25 -38.57 58.53 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.334 0.494 . . . . 2.2999999999999998 112.334 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -164.18 34.02 0.28 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.658 -0.782 . . . . 1.4199999999999999 112.313 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.466 ' OG1' ' HA ' ' A' ' 57' ' ' LEU . 2.1 p -88.17 -0.49 57.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.886 0.374 . . . . 1.25 111.552 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.18 1.87 86.1 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.761 -0.733 . . . . 1.3500000000000001 112.093 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.72 150.19 22.56 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.919 -0.4 . . . . 1.28 109.919 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.751 ' HB2' HG23 ' A' ' 74' ' ' THR . 49.7 mtp180 -117.76 138.37 52.09 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.094 -0.503 . . . . 4.21 109.913 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -103.26 117.36 34.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.529 0.68 . . . . 1.3700000000000001 111.057 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.549 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 26.4 tt0 -108.01 113.42 26.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.327 -0.851 . . . . 2.6400000000000001 109.433 174.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.4 tt -99.89 126.29 53.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.429 0.633 . . . . 1.28 110.553 -177.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -134.39 101.86 5.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.404 -0.816 . . . . 2.29 109.761 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.04 -105.52 0.79 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.913 -0.66 . . . . 1.3 112.381 -175.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -110.03 9.2 24.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.027 0.442 . . . . 2.3500000000000001 110.32 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.5 m -108.1 134.38 51.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.807 -0.633 . . . . 0.96999999999999997 111.127 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.413 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 40.9 t -112.57 112.83 42.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.77 -0.826 . . . . 0.68000000000000005 108.77 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.549 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 9.2 m -101.18 116.86 33.81 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 110.06 -0.348 . . . . 0.80000000000000004 110.06 -176.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.3 t -98.68 112.7 31.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.016 -0.538 . . . . 1.01 110.077 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . 0.751 HG23 ' HB2' ' A' ' 63' ' ' ARG . 1.9 t . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 116.011 -0.541 . . . . 1.8700000000000001 109.905 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.536 -0.542 . . . . 1.99 109.536 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.525 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 26.3 m-90 -126.35 148.53 49.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.755 0.312 . . . . 1.1699999999999999 111.155 -172.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.8 m -89.73 103.89 16.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.663 -0.866 . . . . 1.1299999999999999 108.663 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.537 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 34.9 mt -117.87 118.13 31.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.867 -0.606 . . . . 0.75 111.03 -171.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -95.62 98.59 10.61 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.739 -0.837 . . . . 2.1200000000000001 108.739 171.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.454 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 41.8 mm -101.13 120.13 56.01 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.108 -0.496 . . . . 0.91000000000000003 111.154 -173.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.498 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 49.1 Cg_exo -58.89 157.99 26.57 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.694 2.929 . . . . 0.34999999999999998 113.546 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.574 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -116.72 32.01 6.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.334 -0.848 . . . . 0.42999999999999999 109.599 178.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -99.62 -148.08 0.35 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.637 -1.165 . . . . 1.6100000000000001 108.815 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -52.37 130.34 30.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.998 0.427 . . . . 1.3 110.632 174.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.3 tpp -50.37 -31.68 15.38 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.248 -0.887 . . . . 1.29 111.262 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.64 -40.55 65.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.311 -0.859 . . . . 2.2599999999999998 110.532 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 m -75.49 -41.8 54.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.117 -0.492 . . . . 1.2 110.318 -176.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.498 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.49 -45.32 93.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.789 -0.641 . . . . 0.38 111.357 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.29 -47.41 76.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.356 -0.384 . . . . 0.92000000000000004 110.956 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -61.88 -39.64 92.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.306 -0.406 . . . . 2.1899999999999999 110.363 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.62 88.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.31 110.955 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' CD1' HD13 ' A' ' 6' ' ' LEU . 64.5 tp -67.21 -42.15 84.58 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.595 0.712 . . . . 1.03 110.09 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.405 ' HB2' HD13 ' A' ' 28' ' ' LEU . . . -62.83 -52.81 61.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.556 -1.202 . . . . 0.44 110.346 -178.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.19 -41.34 96.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.374 -0.83 . . . . 3.4100000000000001 111.63 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -76.41 -10.32 59.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.335 0.495 . . . . 1.52 112.335 -174.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.6 p -115.72 1.53 13.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.335 0.588 . . . . 0.76000000000000001 110.27 173.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.0 t0 51.48 43.09 29.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.623 -1.171 . . . . 2.1099999999999999 111.051 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -104.38 173.72 6.18 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.579 -0.737 . . . . 0.76000000000000001 109.886 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -110.15 114.97 28.9 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.542 -0.54 . . . . 2.3900000000000001 109.542 177.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 7.8 mp -109.5 122.46 47.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.108 0.48 . . . . 1.51 110.433 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 tt -106.27 117.57 34.38 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.467 -0.788 . . . . 2.0299999999999998 109.463 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -150.29 148.07 28.41 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.787 -0.819 . . . . 0.95999999999999996 108.787 177.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.416 ' HA ' ' HD2' ' A' ' 32' ' ' PRO . 33.3 t -102.63 112.83 65.98 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 116.593 -0.276 . . . . 1.78 110.268 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 31' ' ' SER . 5.5 Cg_endo -47.14 -48.73 14.12 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 123.775 2.983 . . . . 1.3700000000000001 114.034 -169.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -73.17 -21.98 60.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.91 0.385 . . . . 2.96 111.289 -175.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.32 -5.3 59.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.133 0.42 . . . . 2.2200000000000002 112.133 -172.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.426 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 26.9 pt -106.56 7.68 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.931 0.396 . . . . 1.0900000000000001 110.555 175.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.06 6.5 32.3 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 115.646 -0.706 . . . . 1.3999999999999999 114.124 173.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.37 47.76 68.53 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.711 -0.757 . . . . 1.05 111.888 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 92.3 mt -82.82 157.73 23.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.053 -0.351 . . . . 1.72 110.053 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -96.37 146.19 24.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.053 0.454 . . . . 3.77 110.755 176.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 p -87.97 157.45 18.92 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.597 -0.729 . . . . 0.56000000000000005 111.395 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.9 m -87.88 126.4 35.01 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.23 -0.656 . . . . 1.54 109.23 174.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.574 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -56.3 101.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.446 0.466 . . . . 0.83999999999999997 111.659 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tt -117.9 91.74 3.65 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.881 -0.785 . . . . 1.4199999999999999 108.881 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.537 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 25.7 pttm -119.72 122.8 42.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.389 0.614 . . . . 2.4300000000000002 110.612 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.45 -162.98 34.22 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.052 -0.819 . . . . 0.37 111.052 -176.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 13.2 ttm180 -105.62 97.64 7.45 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.632 -0.507 . . . . 3.27 109.632 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -137.95 149.33 46.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.212 0.53 . . . . 1.98 111.19 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.99 151.67 46.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.891 -1.05 . . . . 1.8600000000000001 111.032 175.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.71 -58.91 6.29 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.631 0.253 . . . . 1.1799999999999999 111.344 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -61.26 -37.54 83.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.318 -0.401 . . . . 2.3900000000000001 110.705 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.4 t -60.94 -46.68 89.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.167 -0.47 . . . . 1.3300000000000001 109.849 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.8 m -61.16 -43.67 98.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 1.21 110.675 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.29 -36.66 75.97 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.119 -0.492 . . . . 0.69999999999999996 110.924 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 97.3 mtt180 -69.23 -51.57 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.218 -0.447 . . . . 3.3799999999999999 111.081 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.2 mm -70.17 -43.22 79.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 111.942 0.349 . . . . 1.24 111.942 -175.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.17 -53.45 53.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.66 -0.246 . . . . 1.6299999999999999 110.946 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.4 mp -71.23 -27.23 63.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.585 -0.279 . . . . 2.1699999999999999 111.409 -176.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 53.4 tt0 -49.13 104.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.062 0.545 . . . . 2.2999999999999998 111.67 178.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.55 -16.97 12.42 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.992 -0.623 . . . . 1.4199999999999999 112.898 176.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.0 p -94.04 -10.67 32.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.727 0.299 . . . . 1.25 111.799 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.12 12.74 82.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.508 -0.854 . . . . 1.3500000000000001 113.079 -177.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.9 mt -96.39 150.92 20.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.287 0.543 . . . . 1.28 110.227 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.0 mpt_? -119.35 135.13 54.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.392 -0.367 . . . . 4.21 110.423 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -100.08 147.45 25.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.063 -0.517 . . . . 1.3700000000000001 110.511 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.788 HE21 ' HA ' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -128.39 111.37 13.25 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.338 -0.616 . . . . 2.6400000000000001 109.338 177.198 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.9 tt -103.3 101.52 12.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.674 0.749 . . . . 1.28 110.554 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -119.05 105.49 11.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.347 -0.842 . . . . 2.29 109.665 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.73 -108.07 1.82 Allowed Glycine 0 CA--C 1.518 0.237 0 C-N-CA 121.033 -0.603 . . . . 1.3 112.357 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -112.61 8.8 19.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.275 0.56 . . . . 2.3500000000000001 110.174 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.7 m -111.17 129.21 56.02 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.626 -0.715 . . . . 0.96999999999999997 110.649 -176.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.562 ' HA ' ' O ' ' A' ' 65' ' ' GLN . 25.2 t -121.57 123.26 69.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.698 -0.683 . . . . 0.68000000000000005 109.649 -177.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.525 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 31.4 m -106.05 125.53 51.1 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.519 -0.31 . . . . 0.80000000000000004 110.349 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.1 t -100.45 95.32 3.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.544 -0.539 . . . . 1.01 109.544 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.32 -0.69 0 CA-C-N 115.802 -0.635 . . . . 1.8700000000000001 110.768 -176.195 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 109.805 -0.443 . . . . 1.99 109.805 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.521 ' HZ3' ' H ' ' A' ' 49' ' ' LEU . 22.2 m-90 -130.45 157.68 41.96 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.221 -0.445 . . . . 1.1699999999999999 109.88 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 p -89.01 97.62 11.3 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 108.354 -0.98 . . . . 1.1299999999999999 108.354 171.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.675 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 78.3 mt -111.0 111.48 22.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.485 -0.78 . . . . 0.75 110.887 -170.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.625 ' HA ' ' CB ' ' A' ' 44' ' ' LYS . 22.1 m-20 -95.07 100.66 12.45 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.355 -0.609 . . . . 2.1200000000000001 109.355 174.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.434 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 47.0 mm -101.7 118.47 59.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.94 -0.573 . . . . 0.91000000000000003 110.443 -177.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.6 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 35.9 Cg_exo -60.45 149.64 85.28 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.4 2.733 . . . . 0.34999999999999998 113.047 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.11 29.38 3.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.52 -0.764 . . . . 0.42999999999999999 109.862 176.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -97.32 -157.6 0.6 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.874 -1.057 . . . . 1.6100000000000001 108.87 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.3 m -55.35 143.57 28.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.993 0.425 . . . . 1.3 110.594 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.1 tpp -50.61 -29.81 11.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.432 -0.804 . . . . 1.29 111.17 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -54.87 -38.79 67.96 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.028 -0.533 . . . . 2.2599999999999998 111.054 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.7 t -79.01 -43.66 23.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.113 0.482 . . . . 1.2 109.749 -176.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.6 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -60.59 -48.53 81.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.56 -0.745 . . . . 0.38 111.748 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.71 -48.02 83.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.402 -0.363 . . . . 0.92000000000000004 111.417 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -65.55 -34.75 78.98 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.183 -0.207 . . . . 2.1899999999999999 111.521 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.19 92.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.941 0.4 . . . . 0.31 110.498 176.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.83 -39.5 87.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 1.03 110.422 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.527 ' HB2' HD13 ' A' ' 28' ' ' LEU . . . -62.61 -46.07 89.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.424 -0.807 . . . . 0.44 110.249 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -62.68 -40.64 97.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.183 -0.917 . . . . 3.4100000000000001 111.311 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.407 HE21 ' HB2' ' A' ' 23' ' ' GLN . 20.2 mt-30 -80.07 -20.88 44.14 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.114 0.783 . . . . 1.52 113.114 -172.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.0 p -118.42 7.1 11.84 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.471 -0.491 . . . . 0.76000000000000001 112.165 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.5 t70 51.59 46.85 25.88 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.577 -0.738 . . . . 2.1099999999999999 111.046 -178.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 p -113.39 161.68 17.0 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.955 -0.566 . . . . 0.76000000000000001 111.207 -177.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -105.34 124.3 49.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.551 -0.537 . . . . 2.3900000000000001 109.551 176.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.597 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 10.3 mp -115.15 124.19 50.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.359 0.599 . . . . 1.51 110.752 -177.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -107.23 116.25 31.6 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.25 -0.886 . . . . 2.0299999999999998 109.097 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -148.16 144.72 27.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.955 0.407 . . . . 0.95999999999999996 111.053 -175.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.564 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 7.3 m -104.69 118.66 55.88 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.826 -0.625 . . . . 1.78 109.56 176.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.09 -35.98 83.52 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.392 2.728 . . . . 1.3700000000000001 112.981 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.8 -28.82 62.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.33 0.586 . . . . 2.96 110.559 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.564 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 28.4 t70 -92.21 -1.63 57.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.511 -0.768 . . . . 2.2200000000000002 110.597 -168.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.442 HG13 ' H ' ' A' ' 37' ' ' GLY . 35.0 pt -109.07 -8.48 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.971 -0.559 . . . . 1.0900000000000001 110.321 176.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.74 10.72 80.39 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 116.042 -0.526 . . . . 1.3999999999999999 114.156 173.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.442 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 62.17 39.45 97.68 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.973 -0.632 . . . . 1.05 112.537 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.3 mt -79.27 159.79 27.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.63 0.253 . . . . 1.72 110.688 -177.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -108.72 148.17 30.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.984 0.421 . . . . 3.77 110.159 176.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 p -90.35 159.9 16.38 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.726 -0.67 . . . . 0.56000000000000005 110.466 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 t -89.29 147.12 24.28 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.773 -0.825 . . . . 1.54 108.773 173.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.98 101.86 0.05 Allowed 'General case' 0 C--O 1.233 0.186 0 O-C-N 123.507 0.504 . . . . 0.83999999999999997 111.568 -176.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 tp -122.56 82.91 2.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.29 -0.633 . . . . 1.4199999999999999 109.29 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.675 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 17.7 pttp -130.69 111.24 12.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.772 0.796 . . . . 2.4300000000000002 110.982 -176.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.74 -159.47 30.92 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 114.908 -1.042 . . . . 0.37 110.686 -170.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 46' ' ' ARG . 26.2 mtp180 -85.42 106.39 16.74 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.686 -0.857 . . . . 3.27 108.686 176.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -135.29 143.3 46.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.011 0.434 . . . . 1.98 110.841 -174.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -80.09 146.61 31.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.379 -0.828 . . . . 1.8600000000000001 109.464 172.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.521 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 62.5 tp -58.04 -57.53 12.42 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.645 0.259 . . . . 1.1799999999999999 111.117 -173.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -58.69 -41.05 85.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.921 -0.581 . . . . 2.3900000000000001 110.609 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.425 ' O ' HG13 ' A' ' 55' ' ' ILE . 22.4 m -61.87 -43.79 98.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.723 -0.671 . . . . 1.3300000000000001 111.165 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 m -59.81 -43.58 94.42 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.848 0.356 . . . . 1.21 110.716 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.92 -42.56 97.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.796 -0.638 . . . . 0.69999999999999996 110.506 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 51.6 ttp180 -64.1 -47.17 81.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.904 -0.589 . . . . 3.3799999999999999 110.987 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 51' ' ' SER . 81.4 mt -61.07 -57.01 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.595 0.236 . . . . 1.24 111.28 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.44 -46.95 86.19 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.325 0.491 . . . . 1.6299999999999999 112.325 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.424 HD22 ' HB3' ' A' ' 64' ' ' TYR . 7.1 mp -99.11 17.78 18.99 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.279 0.474 . . . . 2.1699999999999999 112.279 -174.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 36.3 tt0 -52.39 -59.49 4.36 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.933 0.397 . . . . 2.2999999999999998 111.894 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.66 34.0 4.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.399 -0.905 . . . . 1.4199999999999999 112.792 -175.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.6 p -89.81 -4.71 57.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.792 0.296 . . . . 1.25 111.724 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.36 6.05 86.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 1.3500000000000001 112.338 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.7 mt -102.11 165.87 10.92 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.901 -0.407 . . . . 1.28 109.901 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -110.02 125.78 53.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.29 -0.414 . . . . 4.21 110.267 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.424 ' HB3' HD22 ' A' ' 57' ' ' LEU . 12.3 p90 -100.09 116.17 31.49 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.156 -0.683 . . . . 1.3700000000000001 109.156 170.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.599 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 28.8 tt0 -113.35 111.22 21.63 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.537 -0.756 . . . . 2.6400000000000001 110.567 -177.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.2 tt -108.72 128.03 64.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.102 0.477 . . . . 1.28 110.447 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -143.57 116.44 8.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.836 -0.62 . . . . 2.29 109.389 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.87 -108.96 2.48 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.9 -0.666 . . . . 1.3 111.508 -174.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -123.31 19.15 9.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.434 0.635 . . . . 2.3500000000000001 109.654 175.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.1 m -109.8 132.97 53.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.23 -0.895 . . . . 0.96999999999999997 110.006 179.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.597 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 22.8 t -118.6 129.0 75.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.88 -0.6 . . . . 0.68000000000000005 109.729 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.599 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 6.3 m -114.66 123.89 50.45 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.859 -0.423 . . . . 0.80000000000000004 109.859 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.6 t -112.53 102.12 13.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.063 0.459 . . . . 1.01 110.118 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.32 -0.685 0 CA-C-N 115.861 -0.608 . . . . 1.8700000000000001 110.216 -177.537 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 N--CA 1.45 -0.454 0 CA-C-O 120.934 0.397 . . . . 1.99 110.349 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.548 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 26.3 m-90 -134.82 158.59 43.81 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.925 -0.58 . . . . 1.1699999999999999 109.681 -177.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 m -100.69 98.2 8.77 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.989 -1.115 . . . . 1.1299999999999999 107.989 174.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.576 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 78.5 mt -97.4 127.05 43.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.956 -0.565 . . . . 0.75 111.713 -168.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.546 ' HA ' ' HD3' ' A' ' 44' ' ' LYS . 50.7 t0 -98.5 97.53 8.84 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.74 -0.837 . . . . 2.1200000000000001 108.74 173.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.497 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 44.9 mm -103.61 124.26 38.57 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.156 -0.474 . . . . 0.91000000000000003 110.593 -176.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.666 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 35.4 Cg_exo -62.24 155.76 54.79 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 123.344 2.696 . . . . 0.34999999999999998 112.721 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -108.74 19.85 19.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.589 0.709 . . . . 0.42999999999999999 109.93 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.422 HE21 ' HB3' ' A' ' 9' ' ' PRO . 19.5 pt20 -98.8 -157.79 0.63 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.085 -0.962 . . . . 1.6100000000000001 109.327 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.5 t -49.7 132.43 21.78 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.819 0.342 . . . . 1.3 110.389 178.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.463 ' HG2' ' HG ' ' A' ' 17' ' ' LEU . 51.6 ttm -53.58 -22.77 9.13 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.572 -0.74 . . . . 1.29 111.271 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -50.47 -48.71 56.56 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.7 -0.682 . . . . 2.2599999999999998 110.69 172.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.0 m -75.67 -36.15 60.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.942 0.401 . . . . 1.2 110.558 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.666 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.7 -53.47 53.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 0.38 112.387 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.463 ' HG ' ' HG2' ' A' ' 13' ' ' MET . 91.1 mt -64.17 -41.82 96.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.756 0.312 . . . . 0.92000000000000004 110.971 -176.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -64.46 -34.26 77.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.395 -0.366 . . . . 2.1899999999999999 110.866 177.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.04 -43.53 82.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.444 -0.344 . . . . 0.31 110.841 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.66 -40.29 95.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 1.03 110.65 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.788 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -62.47 -52.58 62.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.279 -0.873 . . . . 0.44 110.411 -177.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -64.44 -30.38 71.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.36 -0.836 . . . . 3.4100000000000001 111.73 -176.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -79.61 -22.67 43.36 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.085 0.402 . . . . 1.52 112.085 -176.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.0 p -116.98 10.48 14.02 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.937 -0.305 . . . . 0.76000000000000001 111.589 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 56.67 35.74 26.61 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.739 -0.664 . . . . 2.1099999999999999 110.967 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.433 ' OG1' ' HA ' ' A' ' 21' ' ' ALA . 18.2 p -105.84 177.9 4.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.136 0.493 . . . . 0.76000000000000001 111.66 -175.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -123.56 126.02 45.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.499 -0.773 . . . . 2.3900000000000001 109.898 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.788 HD23 ' HB2' ' A' ' 21' ' ' ALA . 3.4 mm? -105.95 120.55 42.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.747 0.308 . . . . 1.51 110.572 179.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.3 mt -108.2 110.29 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.536 -0.542 . . . . 2.0299999999999998 109.536 175.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -156.27 163.42 39.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.319 -0.401 . . . . 0.95999999999999996 110.318 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.433 ' HB2' ' OD2' ' A' ' 34' ' ' ASP . 14.0 m -121.23 140.96 32.08 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 109.368 -0.604 . . . . 1.78 109.368 175.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.488 ' HA ' HG12 ' A' ' 35' ' ' ILE . 31.6 Cg_exo -59.5 -22.24 65.51 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.956 2.437 . . . . 1.3700000000000001 112.475 -177.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -73.89 -14.52 61.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.987 -0.551 . . . . 2.96 111.461 178.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.433 ' OD2' ' HB2' ' A' ' 31' ' ' SER . 38.3 m-20 -91.81 -16.4 26.84 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.107 0.48 . . . . 2.2200000000000002 109.713 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.739 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 26.8 pt -107.18 -11.78 10.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.776 -0.647 . . . . 1.0900000000000001 110.805 -173.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.3 5.73 29.86 Favored Glycine 0 CA--C 1.52 0.384 0 CA-C-N 116.24 -0.436 . . . . 1.3999999999999999 113.937 173.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.667 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 66.56 35.92 90.66 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.932 -0.651 . . . . 1.05 112.473 -178.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 2.6 pp -103.4 170.18 8.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.026 0.441 . . . . 1.72 110.722 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -93.7 139.2 31.09 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.841 -0.618 . . . . 3.77 110.581 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.4 p -88.04 168.25 12.98 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.238 -0.892 . . . . 0.56000000000000005 110.953 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.7 m -86.72 129.33 34.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.884 -0.598 . . . . 1.54 109.632 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -57.08 103.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.8 -0.636 . . . . 0.83999999999999997 111.222 -177.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.55 84.22 2.15 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.161 -0.681 . . . . 1.4199999999999999 109.161 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 19.9 ttpt -114.67 103.87 11.42 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.85 -0.614 . . . . 2.4300000000000002 110.288 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.29 -163.51 21.29 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 115.292 -0.867 . . . . 0.37 111.123 -177.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.548 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 39.9 ttm180 -124.18 103.94 8.55 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.912 0.387 . . . . 3.27 110.396 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -141.14 171.51 13.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.789 -0.641 . . . . 1.98 109.591 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -70.05 170.12 12.05 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.945 -0.391 . . . . 1.8600000000000001 109.945 172.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 60.7 tp -59.25 -58.09 10.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.778 0.323 . . . . 1.1799999999999999 110.719 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -62.1 -35.48 78.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.911 -0.586 . . . . 2.3900000000000001 110.928 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.465 ' O ' HG12 ' A' ' 55' ' ' ILE . 44.8 t -62.14 -51.78 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.859 -0.61 . . . . 1.3300000000000001 110.427 178.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -60.96 -41.44 96.35 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.182 -0.463 . . . . 1.21 111.105 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 97.0 mt -57.77 -46.05 85.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.505 . . . . 0.69999999999999996 111.471 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -67.08 -47.36 71.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.406 . . . . 3.3799999999999999 111.08 -175.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 51' ' ' SER . 45.8 mm -60.49 -30.07 45.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.283 -0.417 . . . . 1.24 111.358 -176.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.408 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.9 tt -84.5 -62.92 1.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.297 -0.41 . . . . 1.6299999999999999 111.331 -177.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 64' ' ' TYR . 8.5 mp -70.47 -29.97 66.66 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.878 0.695 . . . . 2.1699999999999999 112.878 -169.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -49.72 -46.31 50.08 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.956 0.408 . . . . 2.2999999999999998 111.387 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.77 -27.54 73.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.89 -0.671 . . . . 1.4199999999999999 112.798 -176.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.9 p -92.89 17.75 10.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.309 0.485 . . . . 1.25 112.309 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.72 40.98 95.6 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 121.328 -0.463 . . . . 1.3500000000000001 113.933 174.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.5 mt -127.82 164.22 22.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.996 0.398 . . . . 1.28 110.217 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -113.23 127.34 56.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.015 -0.365 . . . . 4.21 110.015 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.461 ' HB3' HD22 ' A' ' 57' ' ' LEU . 17.7 p90 -100.6 120.15 39.61 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.172 0.511 . . . . 1.3700000000000001 110.374 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.423 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 33.7 tt0 -103.91 110.46 22.6 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.803 -0.443 . . . . 2.6400000000000001 109.803 171.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.9 tt -100.56 123.7 53.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.1 -0.5 . . . . 1.28 110.426 -177.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -136.85 105.52 5.84 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.608 -0.516 . . . . 2.29 109.608 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.26 -109.97 3.15 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.988 -0.625 . . . . 1.3 112.255 -174.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -112.91 7.76 18.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.186 0.517 . . . . 2.3500000000000001 109.663 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.2 m -107.48 130.82 54.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.462 -0.79 . . . . 0.96999999999999997 110.429 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.543 ' HB ' HD13 ' A' ' 28' ' ' LEU . 40.0 t -117.89 125.3 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.152 -0.477 . . . . 0.68000000000000005 109.732 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.423 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 19.3 m -108.34 116.8 32.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.322 -0.399 . . . . 0.80000000000000004 110.212 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.4 t -88.21 115.69 28.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.178 -0.465 . . . . 1.01 110.089 179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 115.913 -0.585 . . . . 1.8700000000000001 110.142 -178.879 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.506 ' HB3' ' HG2' ' A' ' 46' ' ' ARG . 40.7 mt-10 . . . . . 0 N--CA 1.446 -0.655 0 CA-C-O 121.095 0.474 . . . . 1.99 110.098 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.481 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 20.5 m-90 -127.94 153.52 46.6 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.787 -0.642 . . . . 1.1699999999999999 109.613 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.5 m -91.06 97.67 11.31 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.293 -1.003 . . . . 1.1299999999999999 108.293 174.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.518 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 89.2 mt -95.42 107.73 19.89 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.883 -0.599 . . . . 0.75 110.881 -173.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -93.25 97.71 10.8 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.653 -0.869 . . . . 2.1200000000000001 108.653 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 44.6 mm -107.51 119.45 50.6 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.492 -0.776 . . . . 0.91000000000000003 110.502 -175.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.596 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 31.4 Cg_exo -60.9 145.38 99.13 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.093 2.528 . . . . 0.34999999999999998 113.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -97.2 27.28 4.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.389 -0.823 . . . . 0.42999999999999999 109.953 176.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -93.8 -155.21 0.44 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.98 -1.009 . . . . 1.6100000000000001 109.047 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 m -53.2 137.75 33.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.079 0.466 . . . . 1.3 110.353 175.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.446 ' HB3' HD12 ' A' ' 35' ' ' ILE . 58.5 tpp -47.96 -31.56 5.42 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.073 -0.967 . . . . 1.29 111.924 -178.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -56.67 -41.65 77.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.965 -0.561 . . . . 2.2599999999999998 111.864 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 m -72.03 -40.91 68.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.99 0.424 . . . . 1.2 110.156 -176.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.596 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.75 -50.79 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.652 -0.703 . . . . 0.38 111.784 -179.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.16 -39.88 86.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.471 -0.331 . . . . 0.92000000000000004 111.118 -176.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -62.98 -36.59 84.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.175 0.512 . . . . 2.1899999999999999 110.468 176.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.85 91.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.811 -0.631 . . . . 0.31 110.514 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.573 HD23 HD21 ' A' ' 28' ' ' LEU . 59.6 tp -66.1 -38.89 89.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.221 0.534 . . . . 1.03 110.014 -179.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.61 -48.12 82.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.354 -0.839 . . . . 0.44 110.387 -177.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -66.11 -46.27 78.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.88 -1.054 . . . . 3.4100000000000001 111.47 177.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.84 -42.16 99.63 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.19 0.811 . . . . 1.52 113.19 -173.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 p -109.93 8.96 24.48 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.428 -0.509 . . . . 0.76000000000000001 112.334 -174.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.6 t70 54.28 59.29 4.28 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.817 0.818 . . . . 2.1099999999999999 110.532 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.12 159.82 39.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.912 -0.585 . . . . 0.76000000000000001 109.881 -178.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -106.36 125.72 51.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.874 -0.417 . . . . 2.3900000000000001 109.874 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.75 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 8.7 mp -116.19 123.64 48.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.29 -0.414 . . . . 1.51 110.332 -177.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.422 ' HA ' HD13 ' A' ' 29' ' ' LEU . 3.9 mm? -108.59 119.33 39.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.044 -0.526 . . . . 2.0299999999999998 110.057 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.577 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 49.9 p90 -151.67 151.86 32.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.078 -0.51 . . . . 0.95999999999999996 110.186 179.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.585 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 4.1 m -96.69 118.84 64.77 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.026 -0.534 . . . . 1.78 109.654 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 31' ' ' SER . 32.4 Cg_exo -58.97 -28.83 88.88 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.036 2.49 . . . . 1.3700000000000001 112.69 -176.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -75.75 -23.54 56.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.871 -0.604 . . . . 2.96 111.132 177.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.585 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 3.4 m-20 -98.53 -0.18 43.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.74 0.274 . . . . 2.2200000000000002 111.74 -172.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.527 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 34.3 pt -98.78 6.47 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.873 -0.417 . . . . 1.0900000000000001 109.873 178.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.23 8.02 21.8 Favored Glycine 0 C--N 1.331 0.265 0 CA-C-N 115.478 -0.783 . . . . 1.3999999999999999 114.438 172.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.99 36.01 71.67 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 121.088 -0.577 . . . . 1.05 112.344 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 4.1 pp -97.47 166.09 11.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.53 0.205 . . . . 1.72 110.621 -175.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -89.91 142.49 27.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.178 0.513 . . . . 3.77 110.22 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 p -83.38 160.66 21.57 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.46 -0.791 . . . . 0.56000000000000005 111.923 -174.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.2 t -89.5 103.44 16.08 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.373 -0.973 . . . . 1.54 108.373 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -55.82 118.76 4.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.554 -0.748 . . . . 0.83999999999999997 112.333 -173.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -104.53 84.74 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.941 -1.133 . . . . 1.4199999999999999 107.941 173.331 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 59.6 tttp -108.49 102.62 11.69 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.186 -0.916 . . . . 2.4300000000000002 110.282 -173.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.92 -163.76 34.9 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.562 -0.828 . . . . 0.37 112.422 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.506 ' HG2' ' HB3' ' A' ' 3' ' ' GLU . 20.1 ttp180 -107.93 99.56 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.547 -0.538 . . . . 3.27 109.547 -178.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -139.29 168.21 20.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.868 0.366 . . . . 1.98 111.012 -178.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.54 169.55 17.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.46 -0.791 . . . . 1.8600000000000001 109.251 171.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.14 -58.7 7.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.768 0.318 . . . . 1.1799999999999999 110.876 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -64.99 -30.98 72.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 2.3900000000000001 112.029 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -60.85 -50.81 71.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.247 0.546 . . . . 1.3300000000000001 109.912 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 m -61.89 -45.24 94.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.505 -0.771 . . . . 1.21 110.825 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.556 HD13 HD11 ' A' ' 66' ' ' ILE . 13.4 mt -55.88 -48.68 75.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.083 -0.508 . . . . 0.69999999999999996 111.844 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -60.53 -49.03 79.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.399 -0.364 . . . . 3.3799999999999999 111.409 -177.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.5 mt -72.83 -34.45 46.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.754 0.312 . . . . 1.24 111.459 -174.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 tt -71.12 -49.68 41.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.516 -0.311 . . . . 1.6299999999999999 110.696 -177.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.893 ' HG ' ' HB3' ' A' ' 64' ' ' TYR . 4.5 mm? -77.02 -36.89 55.89 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.188 0.44 . . . . 2.1699999999999999 112.188 -173.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -50.0 110.09 0.36 Allowed 'General case' 0 C--O 1.236 0.362 0 O-C-N 123.219 0.324 . . . . 2.2999999999999998 111.616 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.64 65.73 1.49 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.986 -0.626 . . . . 1.4199999999999999 112.234 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.8 p -144.43 -33.59 0.39 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.005 0.431 . . . . 1.25 110.898 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 112.14 -15.8 25.38 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.685 -0.966 . . . . 1.3500000000000001 110.685 -173.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 79.6 mt -108.44 154.46 21.85 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.067 -0.345 . . . . 1.28 110.067 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -118.63 137.35 53.34 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.881 -0.414 . . . . 4.21 109.881 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.893 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 16.9 p90 -100.18 118.26 36.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.353 0.597 . . . . 1.3700000000000001 110.929 -178.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.54 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 16.5 mm100 -108.82 134.14 51.92 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.687 -0.688 . . . . 2.6400000000000001 109.983 173.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.556 HD11 HD13 ' A' ' 53' ' ' LEU . 57.5 mt -108.23 106.71 21.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.174 0.512 . . . . 1.28 109.753 177.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -114.41 105.39 13.06 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.281 -0.637 . . . . 2.29 109.281 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.79 -110.91 3.77 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.061 -0.59 . . . . 1.3 112.161 -174.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -114.03 23.77 12.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.79 0.805 . . . . 2.3500000000000001 109.053 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.0 m -118.81 137.52 53.34 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.952 -1.022 . . . . 0.96999999999999997 110.497 -173.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.75 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 34.3 t -108.46 117.53 54.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.089 -0.708 . . . . 0.68000000000000005 109.089 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.54 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 19.2 m -104.45 113.1 26.44 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.8 0.333 . . . . 0.80000000000000004 110.139 -177.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.577 ' HB ' ' HB3' ' A' ' 30' ' ' TYR . 39.9 t -95.39 98.12 7.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.843 -0.617 . . . . 1.01 109.414 178.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.319 -0.75 0 CA-C-N 115.712 -0.676 . . . . 1.8700000000000001 109.898 -176.56 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 . . . . . 0 C--O 1.237 0.422 0 CA-C-O 120.976 0.417 . . . . 1.99 111.068 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.629 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 23.6 m-90 -126.35 153.51 44.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.595 -0.73 . . . . 1.1699999999999999 109.593 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.0 m -89.62 99.16 12.22 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.43 -0.582 . . . . 1.1299999999999999 109.43 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.629 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 26.6 mt -106.09 110.08 22.22 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.674 -0.694 . . . . 0.75 110.963 -172.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -93.53 98.58 11.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.246 -0.65 . . . . 2.1200000000000001 109.246 172.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.469 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 40.8 mm -100.38 123.01 47.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.813 0.339 . . . . 0.91000000000000003 111.237 -176.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.767 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 34.4 Cg_exo -64.35 162.16 31.55 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.599 2.866 . . . . 0.34999999999999998 113.443 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -113.15 31.58 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.781 0.8 . . . . 0.42999999999999999 109.794 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -103.41 -151.89 0.44 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.709 -1.132 . . . . 1.6100000000000001 109.717 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 m -54.38 132.48 44.24 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.043 -0.526 . . . . 1.3 110.213 173.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.1 tpp -48.46 -32.13 7.33 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 114.907 -1.042 . . . . 1.29 111.516 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -53.46 -42.64 67.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.773 -0.648 . . . . 2.2599999999999998 111.226 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.4 m -74.38 -41.54 60.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.937 0.399 . . . . 1.2 110.43 -176.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.767 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.12 -44.84 95.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.898 -0.592 . . . . 0.38 111.38 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.89 -46.99 73.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.258 -0.428 . . . . 0.92000000000000004 111.279 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -61.63 -35.78 78.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 2.1899999999999999 110.573 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.97 90.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.31 110.676 176.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.611 HD21 HD11 ' A' ' 53' ' ' LEU . 47.0 tp -64.58 -38.05 89.67 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.339 0.59 . . . . 1.03 109.673 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.04 99.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.754 -1.112 . . . . 0.44 109.96 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -61.12 -40.96 95.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.599 -0.728 . . . . 3.4100000000000001 111.089 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.45 -35.08 78.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.082 -0.508 . . . . 1.52 112.313 -177.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.472 HG21 HD13 ' A' ' 49' ' ' LEU . 12.6 p -117.08 3.93 12.73 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.666 0.617 . . . . 0.76000000000000001 112.666 -173.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.38 37.55 29.05 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.333 0.587 . . . . 2.1099999999999999 110.995 -175.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.0 p -98.92 157.11 16.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.665 -0.698 . . . . 0.76000000000000001 111.101 -176.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -103.59 120.74 41.49 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.72 -0.673 . . . . 2.3900000000000001 109.762 176.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.551 ' CD2' ' HB ' ' A' ' 71' ' ' VAL . 63.4 mt -104.61 121.04 42.7 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.088 -0.506 . . . . 1.51 109.753 -177.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -97.25 109.14 21.95 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.321 -0.622 . . . . 2.0299999999999998 109.321 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.57 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 32.1 p90 -163.63 163.36 24.42 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.413 -0.812 . . . . 0.95999999999999996 109.201 -177.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.449 ' HB2' ' OD2' ' A' ' 34' ' ' ASP . 48.7 m -126.43 116.28 23.16 Favored Pre-proline 0 C--N 1.316 -0.879 0 CA-C-O 120.907 0.384 . . . . 1.78 110.462 178.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 31' ' ' SER . 31.7 Cg_exo -59.83 -18.94 51.97 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.218 2.612 . . . . 1.3700000000000001 112.298 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -71.41 -37.09 71.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.792 -0.64 . . . . 2.96 109.958 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.449 ' OD2' ' HB2' ' A' ' 31' ' ' SER . 83.2 m-20 -72.12 -18.22 61.92 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.65 -0.704 . . . . 2.2200000000000002 112.056 -177.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.61 HG13 ' H ' ' A' ' 37' ' ' GLY . 36.9 pt -99.35 -10.66 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.739 -0.384 . . . . 1.0900000000000001 111.137 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.96 16.26 61.55 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 121.176 -0.535 . . . . 1.3999999999999999 113.337 176.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.61 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 79.11 65.52 1.8 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.723 -0.751 . . . . 1.05 112.613 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.9 mt -86.04 154.3 21.52 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.04 -0.356 . . . . 1.72 110.04 176.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -96.7 142.0 29.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.89 0.376 . . . . 3.77 110.037 173.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.6 p -89.12 155.1 19.65 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.856 -0.611 . . . . 0.56000000000000005 111.229 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.6 t -88.63 131.3 35.04 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.082 -0.71 . . . . 1.54 109.082 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.29 100.73 0.07 Allowed 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.649 0.593 . . . . 0.83999999999999997 111.722 -177.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.3 mt -118.09 84.26 2.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.844 -0.616 . . . . 1.4199999999999999 109.759 175.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 45.2 pttt -116.62 116.32 27.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.553 0.692 . . . . 2.4300000000000002 111.197 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.82 -163.0 33.94 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 114.896 -1.047 . . . . 0.37 111.054 -176.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.629 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 9.8 ptm180 -120.41 113.02 19.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.967 0.383 . . . . 3.27 110.596 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -155.31 -179.88 8.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.719 0.295 . . . . 1.98 111.148 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -67.58 144.56 55.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.436 -0.802 . . . . 1.8600000000000001 111.031 178.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.472 HD13 HG21 ' A' ' 24' ' ' THR . 44.1 tp -60.33 -60.12 4.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.596 0.236 . . . . 1.1799999999999999 110.888 -176.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.734 ' HG3' ' HE2' ' A' ' 64' ' ' TYR . 9.6 tt0 -57.76 -34.69 69.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.205 0.526 . . . . 2.3900000000000001 110.581 -177.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.7 t -64.38 -46.1 84.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.38 -0.827 . . . . 1.3300000000000001 111.268 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.9 p -62.5 -48.2 80.62 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 111.406 0.15 . . . . 1.21 111.406 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.611 HD11 HD21 ' A' ' 20' ' ' LEU . 6.3 mp -59.57 -30.6 68.76 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.627 0.251 . . . . 0.69999999999999996 111.277 176.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 57.8 ttp180 -61.75 -35.99 79.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.516 -0.311 . . . . 3.3799999999999999 110.339 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.1 mt -74.18 -50.11 29.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.994 0.426 . . . . 1.24 110.665 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.96 -51.23 60.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.703 -0.68 . . . . 1.6299999999999999 111.265 -173.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.493 ' HA ' ' OG1' ' A' ' 60' ' ' THR . 10.2 mp -72.93 -26.97 61.58 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.011 -0.276 . . . . 2.1699999999999999 111.439 -175.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.556 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 9.0 tt0 -45.1 -49.97 11.41 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.352 0.408 . . . . 2.2999999999999998 111.811 172.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.56 -20.71 73.87 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.812 -0.708 . . . . 1.4199999999999999 113.031 -175.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.493 ' OG1' ' HA ' ' A' ' 57' ' ' LEU . 12.2 p -99.56 5.27 46.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.665 0.269 . . . . 1.25 111.718 -176.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.34 26.96 59.94 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 121.375 -0.44 . . . . 1.3500000000000001 113.355 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.87 161.88 13.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.082 0.468 . . . . 1.28 110.974 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -121.35 149.62 42.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.741 -0.663 . . . . 4.21 109.969 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.734 ' HE2' ' HG3' ' A' ' 50' ' ' GLN . 9.2 p90 -131.35 125.37 32.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.283 0.563 . . . . 1.3700000000000001 110.809 -178.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.506 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 12.8 mt-30 -104.45 119.24 38.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.334 -0.848 . . . . 2.6400000000000001 109.185 175.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.406 HG12 HG22 ' A' ' 71' ' ' VAL . 18.5 mt -111.28 120.9 62.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.273 0.559 . . . . 1.28 111.013 -177.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -134.6 103.47 5.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.386 -0.824 . . . . 2.29 109.476 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.27 -101.68 0.85 Allowed Glycine 0 C--N 1.328 0.119 0 C-N-CA 121.06 -0.591 . . . . 1.3 112.065 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -122.5 18.43 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.062 -0.718 . . . . 2.3500000000000001 109.062 174.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.8 m -110.0 118.98 37.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.253 -0.885 . . . . 0.96999999999999997 109.775 -176.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.551 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 23.9 t -122.46 129.3 75.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.982 0.42 . . . . 0.68000000000000005 110.321 -177.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 8.7 m -106.91 113.68 27.31 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.344 -0.389 . . . . 0.80000000000000004 110.428 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.57 ' HB ' ' HB3' ' A' ' 30' ' ' TYR . 38.4 t -92.93 94.63 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.356 -0.609 . . . . 1.01 109.356 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.319 -0.75 0 CA-C-N 115.781 -0.645 . . . . 1.8700000000000001 110.616 -174.19 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 . . . . . 0 N--CA 1.447 -0.609 0 N-CA-C 108.765 -0.828 . . . . 1.99 108.765 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.568 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 15.2 m-90 -134.56 160.94 36.48 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.501 -0.318 . . . . 1.1699999999999999 110.365 -175.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.4 m -94.82 97.98 10.42 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.012 -1.107 . . . . 1.1299999999999999 108.012 172.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.727 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 83.7 mt -104.42 117.57 34.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.719 -0.673 . . . . 0.75 111.072 -171.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -98.17 107.3 19.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.223 -0.444 . . . . 2.1200000000000001 110.273 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.507 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 1.7 mp -101.88 125.75 36.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.249 -0.432 . . . . 0.91000000000000003 110.091 178.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.945 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 29.9 Cg_exo -64.88 161.25 37.25 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.687 2.925 . . . . 0.34999999999999998 113.759 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.44 33.64 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.308 -0.86 . . . . 0.42999999999999999 109.714 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 65.8 mt-30 -96.4 -164.99 1.21 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.146 -0.934 . . . . 1.6100000000000001 108.81 177.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.5 m -55.98 144.42 28.65 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.558 -0.534 . . . . 1.3 109.558 169.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.46 ' HB3' HD12 ' A' ' 35' ' ' ILE . 52.2 tpp -49.78 -23.53 1.88 Allowed 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.643 0.777 . . . . 1.29 111.626 -179.05 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -55.19 -47.37 75.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 2.2599999999999998 110.783 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.4 m -76.56 -36.92 57.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.572 -0.285 . . . . 1.2 110.556 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.945 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -57.33 -52.27 66.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.243 -0.435 . . . . 0.38 111.336 177.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.34 -32.87 70.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.418 -0.355 . . . . 0.92000000000000004 110.72 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -62.29 -48.72 78.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.484 . . . . 2.1899999999999999 110.385 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 23' ' ' GLN . . . -65.52 -34.31 77.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.865 -0.607 . . . . 0.31 110.476 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.3 tp -66.62 -41.53 88.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.97 0.414 . . . . 1.03 110.173 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.95 85.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.543 -0.753 . . . . 0.44 110.155 -175.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.792 ' HE2' ' HA ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -65.9 -25.67 67.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.852 -1.067 . . . . 3.4100000000000001 110.896 178.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 6.7 tt0 -93.53 -25.42 17.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.74 0.644 . . . . 1.52 112.74 -168.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.1 p -117.2 -0.51 12.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.76000000000000001 111.612 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.3 t70 58.01 44.16 19.96 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.457 -0.792 . . . . 2.1099999999999999 110.447 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.04 167.52 10.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.96 -0.564 . . . . 0.76000000000000001 109.825 -178.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -98.17 117.32 32.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.915 0.388 . . . . 2.3900000000000001 109.964 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.55 HD13 ' HB ' ' A' ' 71' ' ' VAL . 4.4 mm? -108.19 114.9 29.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.85 -0.614 . . . . 1.51 110.678 -177.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -106.4 113.31 26.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 2.0299999999999998 109.521 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -141.95 143.06 33.05 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.202 -0.454 . . . . 0.95999999999999996 110.42 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.664 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 14.5 m -102.04 114.97 65.33 Favored Pre-proline 0 C--N 1.315 -0.908 0 CA-C-N 115.764 -0.653 . . . . 1.78 109.958 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -56.95 -41.23 77.52 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.604 2.869 . . . . 1.3700000000000001 113.333 -174.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.491 ' OE2' ' HB3' ' A' ' 31' ' ' SER . 0.0 OUTLIER -78.29 -22.82 47.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.544 -0.298 . . . . 2.96 111.183 -179.84 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.664 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 33.0 t70 -83.99 -26.41 29.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.829 0.347 . . . . 2.2200000000000002 110.671 -177.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.507 HG13 ' H ' ' A' ' 37' ' ' GLY . 27.3 pt -96.84 -3.23 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.368 -0.378 . . . . 1.0900000000000001 110.468 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.3 5.09 33.31 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 115.854 -0.612 . . . . 1.3999999999999999 113.761 174.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.507 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 62.27 36.62 93.3 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.048 -0.596 . . . . 1.05 112.436 -178.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.91 157.35 36.44 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.909 -0.404 . . . . 1.72 109.909 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.61 ' HD2' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -86.54 139.22 31.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.227 0.536 . . . . 3.77 110.598 -178.75 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 p -89.34 155.51 19.31 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.529 -0.76 . . . . 0.56000000000000005 111.269 -177.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m -89.55 130.8 35.81 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.575 -0.898 . . . . 1.54 108.575 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.21 112.87 0.88 Allowed 'General case' 0 C--O 1.236 0.351 0 O-C-N 123.633 0.583 . . . . 0.83999999999999997 111.973 -173.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.45 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 1.7 tm? -109.68 92.43 4.05 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.853 -1.166 . . . . 1.4199999999999999 107.853 174.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.727 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 9.9 ptmt -136.53 118.56 15.35 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.6 0.714 . . . . 2.4300000000000002 111.978 -176.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.47 -163.83 35.33 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 114.969 -1.014 . . . . 0.37 110.771 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.568 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 20.2 ttt180 -99.29 96.41 7.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.162 0.481 . . . . 3.27 109.815 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -137.78 160.54 38.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.973 -0.558 . . . . 1.98 109.674 -177.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -83.62 168.13 16.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.535 -0.543 . . . . 1.8600000000000001 109.535 173.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.53 -52.95 63.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.127 0.267 . . . . 1.1799999999999999 111.405 -175.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -57.24 -49.29 76.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 2.3900000000000001 111.497 -177.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.428 ' O ' HG12 ' A' ' 55' ' ' ILE . 68.1 m -61.2 -44.2 97.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.437 -0.347 . . . . 1.3300000000000001 111.365 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.9 m -60.1 -43.55 95.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.713 0.292 . . . . 1.21 110.95 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.98 -43.13 99.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.69999999999999996 110.917 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -67.47 -48.36 67.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.975 -0.557 . . . . 3.3799999999999999 111.535 -177.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 51' ' ' SER . 47.1 mm -67.41 -25.77 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.967 0.413 . . . . 1.24 110.831 -178.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.593 ' HB3' HD12 ' A' ' 57' ' ' LEU . 2.7 tt -74.72 -55.2 6.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.465 -0.334 . . . . 1.6299999999999999 110.226 178.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.593 HD12 ' HB3' ' A' ' 56' ' ' LEU . 6.7 mp -95.98 25.52 4.71 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.692 -0.231 . . . . 2.1699999999999999 111.296 -177.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -50.15 -57.62 7.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 2.2999999999999998 112.147 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.63 32.19 3.24 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.278 -0.963 . . . . 1.4199999999999999 112.775 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.9 p -91.82 2.05 56.77 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.242 0.46 . . . . 1.25 112.242 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.81 23.78 72.62 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.871 -0.681 . . . . 1.3500000000000001 112.925 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.474 ' HB2' HD23 ' A' ' 57' ' ' LEU . 88.4 mt -114.4 161.74 17.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.703 -0.48 . . . . 1.28 109.703 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -111.05 124.32 51.94 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.809 0.338 . . . . 4.21 110.367 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.434 ' HB3' HD22 ' A' ' 57' ' ' LEU . 41.0 p90 -103.59 117.03 33.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.887 -0.597 . . . . 1.3700000000000001 109.854 172.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 36.0 tt0 -106.98 111.68 24.29 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.841 -0.618 . . . . 2.6400000000000001 109.739 177.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.8 tt -110.8 109.84 29.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.4 0.619 . . . . 1.28 110.317 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -129.52 102.08 6.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.614 -0.721 . . . . 2.29 109.686 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.37 -110.52 3.51 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.753 -0.737 . . . . 1.3 111.785 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -109.35 9.28 25.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.062 0.458 . . . . 2.3500000000000001 110.537 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.6 m -105.54 121.06 43.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.837 -0.62 . . . . 0.96999999999999997 110.778 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.55 ' HB ' HD13 ' A' ' 28' ' ' LEU . 44.6 t -120.23 120.32 62.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.437 -0.579 . . . . 0.68000000000000005 109.437 176.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.0 m -114.14 126.28 54.9 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.77 0.319 . . . . 0.80000000000000004 110.758 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.484 HG13 HD21 ' A' ' 57' ' ' LEU . 84.6 t -116.1 108.2 24.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 1.01 110.593 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.32 -0.681 0 CA-C-N 115.819 -0.628 . . . . 1.8700000000000001 109.973 -178.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.453 ' HB3' ' HG2' ' A' ' 46' ' ' ARG . 45.3 mt-10 . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 121.278 0.561 . . . . 1.99 111.51 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.588 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 18.6 m-90 -140.0 163.43 32.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.949 -1.023 . . . . 1.1699999999999999 108.788 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.6 m -96.01 98.78 10.64 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.248 -1.019 . . . . 1.1299999999999999 108.248 174.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt -87.74 157.11 19.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.436 -0.802 . . . . 0.75 111.297 -172.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -138.15 98.07 3.54 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.371 -0.831 . . . . 2.1200000000000001 108.796 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.7 HD11 HD13 ' A' ' 20' ' ' LEU . 69.0 mt -117.71 118.0 35.36 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 116.007 -0.542 . . . . 0.91000000000000003 110.849 -175.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.807 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 42.8 Cg_exo -59.13 165.4 8.83 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 123.763 2.975 . . . . 0.34999999999999998 113.914 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.594 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -119.06 41.45 3.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.067 -0.97 . . . . 0.42999999999999999 109.156 177.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -114.75 -151.02 0.47 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.32 -1.309 . . . . 1.6100000000000001 108.777 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 p -53.15 132.6 38.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.675 0.75 . . . . 1.3 111.305 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.428 ' HB3' HD12 ' A' ' 35' ' ' ILE . 5.5 tpt -47.01 -29.74 2.25 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 114.056 -1.429 . . . . 1.29 111.722 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -53.39 -47.74 69.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.371 -0.832 . . . . 2.2599999999999998 111.455 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.0 m -76.67 -41.94 43.67 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.775 0.321 . . . . 1.2 110.704 -174.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.807 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -58.4 -51.0 71.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.844 -0.616 . . . . 0.38 111.918 -177.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.5 mt -67.02 -39.92 87.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.467 -0.333 . . . . 0.92000000000000004 110.494 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -62.38 -37.42 85.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.22 -0.445 . . . . 2.1899999999999999 110.404 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.2 -41.06 86.44 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.926 -0.579 . . . . 0.31 110.764 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.7 HD13 HD11 ' A' ' 8' ' ' ILE . 62.6 tp -64.66 -31.35 72.53 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.081 0.467 . . . . 1.03 110.133 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.45 -53.8 51.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.223 -0.899 . . . . 0.44 110.942 -177.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -64.48 -40.54 95.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 3.4100000000000001 111.778 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -66.6 -24.34 66.31 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.551 0.575 . . . . 1.52 112.551 -173.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.2 p -111.78 -10.65 14.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.963 0.411 . . . . 0.76000000000000001 111.176 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 t70 62.12 36.81 14.97 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.346 -0.843 . . . . 2.1099999999999999 110.254 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.614 HG21 HD11 ' A' ' 49' ' ' LEU . 39.8 p -104.16 173.36 6.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.304 -0.862 . . . . 0.76000000000000001 110.479 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.563 ' O ' ' HA ' ' A' ' 70' ' ' THR . 28.1 tt0 -108.55 119.41 39.45 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.368 -0.604 . . . . 2.3900000000000001 109.368 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.471 ' CD2' ' HB ' ' A' ' 71' ' ' VAL . 45.5 mt -107.43 133.93 51.22 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.567 -0.453 . . . . 1.51 110.879 -175.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -112.94 109.88 19.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.708 -0.678 . . . . 2.0299999999999998 109.247 179.846 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -152.03 144.35 24.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.113 -0.494 . . . . 0.95999999999999996 110.013 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.2 t -109.84 115.27 55.56 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.301 -0.409 . . . . 1.78 110.387 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.61 -37.26 83.18 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.843 3.028 . . . . 1.3700000000000001 113.618 -177.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -69.63 -41.33 75.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.994 0.426 . . . . 2.96 110.778 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -81.72 -5.29 57.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.848 -0.615 . . . . 2.2200000000000002 111.901 -170.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.623 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 35.9 pt -99.55 -8.71 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.799 -0.36 . . . . 1.0900000000000001 110.88 177.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.66 20.84 68.54 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 121.187 -0.53 . . . . 1.3999999999999999 113.036 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.543 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 61.92 55.89 25.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.904 -0.665 . . . . 1.05 112.616 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 87.4 mt -66.97 163.9 18.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.771 0.32 . . . . 1.72 110.96 177.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -115.12 138.96 50.31 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.971 -0.751 . . . . 3.77 108.971 169.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.9 p -88.85 156.74 18.75 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.783 -0.644 . . . . 0.56000000000000005 111.604 -175.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.8 m -89.71 122.11 32.51 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.355 -0.98 . . . . 1.54 108.355 170.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.594 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -56.05 110.77 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.541 0.525 . . . . 0.83999999999999997 111.67 -173.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -111.66 90.64 3.39 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.722 -0.844 . . . . 1.4199999999999999 108.722 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -124.78 104.5 8.67 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.624 0.726 . . . . 2.4300000000000002 110.25 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.99 -165.83 33.99 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.32 -0.854 . . . . 0.37 111.043 -176.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.588 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 14.3 ttt180 -107.09 111.55 24.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 117.056 0.428 . . . . 3.27 110.6 -178.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . 0.429 ' HA ' ' OE2' ' A' ' 3' ' ' GLU . 42.2 m-70 -154.64 173.02 16.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.662 -0.244 . . . . 1.98 110.506 176.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.462 ' HB2' ' OG ' ' A' ' 51' ' ' SER . 8.8 m-20 -72.78 168.78 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.979 -0.555 . . . . 1.8600000000000001 110.822 177.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.614 HD11 HG21 ' A' ' 26' ' ' THR . 8.8 tt -61.1 -59.69 4.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.433 -0.349 . . . . 1.1799999999999999 110.178 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -65.24 -30.4 71.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.43 -0.35 . . . . 2.3900000000000001 111.551 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.462 ' OG ' ' HB2' ' A' ' 48' ' ' ASP . 50.4 m -63.68 -45.25 90.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.691 0.281 . . . . 1.3300000000000001 110.659 177.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.2 t -59.81 -46.94 87.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 1.21 110.063 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.23 -39.85 80.17 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.846 -0.616 . . . . 0.69999999999999996 111.161 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -64.22 -46.83 82.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.384 -0.371 . . . . 3.3799999999999999 111.221 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.7 mt -70.97 -31.34 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.085 0.469 . . . . 1.24 110.737 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 56' ' ' LEU . 5.3 tt -76.41 -33.65 58.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.11 -0.496 . . . . 1.6299999999999999 109.75 178.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.547 HD22 ' HD1' ' A' ' 64' ' ' TYR . 14.6 tp -64.26 -44.85 90.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 2.1699999999999999 110.669 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -46.73 109.72 0.22 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.64 -0.709 . . . . 2.2999999999999998 111.402 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.47 -20.9 17.87 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.918 -0.658 . . . . 1.4199999999999999 113.095 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.5 p -94.17 -10.85 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 117.213 0.507 . . . . 1.25 112.243 -175.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.46 17.29 39.45 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 121.325 -0.464 . . . . 1.3500000000000001 113.958 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.7 mt -102.62 176.46 5.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.073 0.436 . . . . 1.28 110.858 -176.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -126.05 133.07 51.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.837 -0.431 . . . . 4.21 109.837 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.547 ' HD1' HD22 ' A' ' 57' ' ' LEU . 45.9 p90 -100.42 118.66 37.09 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.827 -0.749 . . . . 1.3700000000000001 110.987 178.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -102.48 112.41 25.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.089 -0.959 . . . . 2.6400000000000001 109.65 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.1 tt -104.61 114.28 43.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.445 0.64 . . . . 1.28 110.368 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -128.4 112.76 14.75 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.539 -0.755 . . . . 2.29 109.939 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.48 -112.17 4.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.995 -0.621 . . . . 1.3 111.802 -176.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -115.42 15.53 16.78 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.642 -0.873 . . . . 2.3500000000000001 108.642 175.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.563 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 35.0 m -110.38 134.45 52.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.224 -0.898 . . . . 0.96999999999999997 110.303 -177.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.471 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 18.1 t -119.77 117.48 53.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.17 -0.678 . . . . 0.68000000000000005 109.17 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 36.4 m -106.8 119.99 40.8 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.282 -0.417 . . . . 0.80000000000000004 110.343 -175.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 34.5 t -88.9 100.21 10.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.073 -0.714 . . . . 1.01 109.073 177.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 C--N 1.323 -0.574 0 CA-C-O 120.943 0.401 . . . . 1.8700000000000001 110.484 -172.767 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 109.426 -0.583 . . . . 1.99 109.426 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.479 ' HZ3' ' H ' ' A' ' 49' ' ' LEU . 22.7 m-90 -125.71 145.71 50.06 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.187 0.518 . . . . 1.1699999999999999 110.62 -175.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -95.62 99.14 11.04 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.51 -0.922 . . . . 1.1299999999999999 108.51 178.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.549 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 68.9 mt -100.7 121.53 41.8 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.562 -0.744 . . . . 0.75 111.349 -170.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -92.37 98.06 11.25 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.416 -0.586 . . . . 2.1200000000000001 109.416 173.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.42 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 47.9 mm -103.81 119.75 53.53 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.242 -0.435 . . . . 0.91000000000000003 110.281 -178.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.87 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 18.4 Cg_exo -68.97 147.68 68.48 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.201 2.601 . . . . 0.34999999999999998 113.434 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.595 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -96.85 26.59 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.386 -0.824 . . . . 0.42999999999999999 109.963 176.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.482 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 15.3 mt-30 -95.77 -156.6 0.53 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.776 -1.102 . . . . 1.6100000000000001 108.677 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.4 t -51.79 131.43 30.56 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.822 -0.436 . . . . 1.3 109.822 171.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 51.7 ttm -51.61 -26.97 9.9 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.391 -0.822 . . . . 1.29 111.801 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.494 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 8.8 t30 -55.41 -38.94 69.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.415 -0.357 . . . . 2.2599999999999998 110.558 175.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.5 t -71.43 -42.15 68.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.576 -0.527 . . . . 1.2 109.576 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.87 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.46 -41.85 97.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.418 -0.81 . . . . 0.38 111.537 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.79 -40.13 76.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.305 -0.407 . . . . 0.92000000000000004 111.083 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 14' ' ' ASN . 24.4 mt-30 -59.13 -41.6 88.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.221 0.534 . . . . 2.1899999999999999 110.228 174.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.38 -42.74 87.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.609 -0.723 . . . . 0.31 110.84 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.35 -47.96 74.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 1.03 110.988 -176.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.49 98.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.798 -0.637 . . . . 0.44 110.269 -175.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.484 ' HE2' ' HB3' ' A' ' 22' ' ' LYS . 31.4 ttpt -60.09 -41.31 92.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.75 -1.114 . . . . 3.4100000000000001 111.39 178.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.405 HE21 ' HB2' ' A' ' 23' ' ' GLN . 18.9 mt-30 -77.49 -33.51 54.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.01 0.745 . . . . 1.52 113.01 -171.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.8 p -111.24 3.01 18.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.729 0.64 . . . . 0.76000000000000001 112.729 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 56.36 38.27 29.58 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.953 -0.567 . . . . 2.1099999999999999 111.092 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 p -107.17 158.24 17.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.238 -0.437 . . . . 0.76000000000000001 111.176 -176.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -97.18 123.91 41.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.123 -0.489 . . . . 2.3900000000000001 109.903 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.545 HD23 ' HB ' ' A' ' 71' ' ' VAL . 86.8 mt -108.02 116.26 31.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.347 -0.388 . . . . 1.51 110.032 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -103.04 109.8 21.48 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.866 -0.79 . . . . 2.0299999999999998 108.866 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -156.84 158.88 37.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.821 -0.627 . . . . 0.95999999999999996 109.936 -177.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 p -103.76 111.57 65.19 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 116.119 -0.491 . . . . 1.78 110.26 175.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.74 -26.92 75.62 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.119 2.546 . . . . 1.3700000000000001 113.268 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -70.24 -18.18 63.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.664 0.269 . . . . 2.96 111.098 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.27 -10.18 56.8 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.892 0.331 . . . . 2.2200000000000002 111.892 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.465 HG13 ' H ' ' A' ' 37' ' ' GLY . 37.7 pt -103.69 -28.29 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.63 -0.428 . . . . 1.0900000000000001 110.598 174.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.97 11.27 50.53 Favored Glycine 0 C--N 1.335 0.488 0 CA-C-N 116.039 -0.528 . . . . 1.3999999999999999 113.428 174.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.465 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 82.31 47.43 6.08 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.948 -0.644 . . . . 1.05 112.419 -178.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' A' ' 38' ' ' LEU . 2.2 pp -87.81 154.67 20.36 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.75 -0.463 . . . . 1.72 109.75 176.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 25.3 ptt-85 -83.21 126.67 32.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.391 0.615 . . . . 3.77 111.108 -175.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 p -86.34 161.05 18.91 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.448 -0.796 . . . . 0.56000000000000005 110.45 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.0 m -90.57 114.15 26.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.176 -0.465 . . . . 1.54 109.767 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.595 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -58.15 112.17 1.44 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.862 -0.608 . . . . 0.83999999999999997 112.068 -175.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.7 tp -109.96 83.31 1.73 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.265 -0.643 . . . . 1.4199999999999999 109.265 174.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.549 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 1.3 tmtp? -101.36 116.02 31.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.891 -0.595 . . . . 2.4300000000000002 109.614 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.13 -163.7 35.4 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.531 -0.842 . . . . 0.37 112.392 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -97.48 104.68 16.72 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.67 -0.493 . . . . 3.27 109.67 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -138.29 144.37 40.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.23 -0.441 . . . . 1.98 110.891 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.75 161.71 29.93 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.896 -0.779 . . . . 1.8600000000000001 108.896 169.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.479 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 43.5 tp -55.55 -51.02 68.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.838 0.29 . . . . 1.1799999999999999 110.852 -175.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -60.0 -38.47 82.69 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.239 -0.437 . . . . 2.3900000000000001 111.187 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.4 t -62.75 -51.89 65.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.876 -0.602 . . . . 1.3300000000000001 110.43 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.6 t -61.79 -49.7 75.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.727 -0.67 . . . . 1.21 111.205 -176.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.01 -38.64 83.25 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.186 0.439 . . . . 0.69999999999999996 112.186 -174.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 59.4 ttt180 -72.17 -47.59 49.67 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.82 -0.352 . . . . 3.3799999999999999 110.946 -176.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.9 mm -65.85 -37.1 79.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 1.24 110.976 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.8 tp -71.9 -30.17 65.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.036 -0.529 . . . . 1.6299999999999999 111.095 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.91 HD22 ' HD1' ' A' ' 64' ' ' TYR . 13.7 tp -70.82 -44.44 66.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 2.1699999999999999 110.996 -178.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 54' ' ' ARG . 26.9 mt-30 -46.81 106.7 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.57 -0.741 . . . . 2.2999999999999998 112.148 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.91 -20.65 8.09 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.698 -0.763 . . . . 1.4199999999999999 113.045 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.0 p -91.76 -7.97 48.14 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.43 0.53 . . . . 1.25 112.43 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.16 17.36 61.28 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.995 -0.621 . . . . 1.3500000000000001 113.293 -178.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.5 mt -105.78 173.65 6.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.752 0.311 . . . . 1.28 110.616 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -119.47 130.87 55.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.133 -0.485 . . . . 4.21 110.416 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.91 ' HD1' HD22 ' A' ' 57' ' ' LEU . 16.7 p90 -99.89 118.69 36.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.304 0.574 . . . . 1.3700000000000001 109.923 175.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.541 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -100.17 109.23 21.49 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.002 -0.74 . . . . 2.6400000000000001 109.002 174.545 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.8 tt -105.88 113.19 42.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.596 0.712 . . . . 1.28 110.476 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -132.57 100.06 4.84 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.572 -0.74 . . . . 2.29 109.917 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.2 -106.27 1.47 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.916 -0.659 . . . . 1.3 112.465 -177.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -111.13 7.97 21.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.456 0.646 . . . . 2.3500000000000001 109.82 178.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.2 m -105.57 120.39 41.51 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.24 -0.891 . . . . 0.96999999999999997 110.563 -176.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.545 ' HB ' HD23 ' A' ' 28' ' ' LEU . 47.6 t -116.27 122.86 70.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.543 -0.54 . . . . 0.68000000000000005 109.543 178.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.541 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 6.0 m -115.31 127.56 55.52 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.554 -0.294 . . . . 0.80000000000000004 110.725 -176.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.0 t -98.67 105.4 17.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.694 -0.484 . . . . 1.01 109.694 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.1 m . . . . . 0 C--N 1.321 -0.653 0 CA-C-N 115.926 -0.579 . . . . 1.8700000000000001 110.187 -176.422 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 121.168 0.508 . . . . 1.99 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 22.3 m-90 -136.97 155.21 50.01 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.365 -0.834 . . . . 1.1699999999999999 109.15 175.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 m -95.93 98.34 10.32 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.475 -0.935 . . . . 1.1299999999999999 108.475 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.9 mt -95.57 118.47 32.34 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.265 -0.88 . . . . 0.75 111.056 -169.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -94.31 98.16 10.72 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.936 -0.764 . . . . 2.1200000000000001 108.936 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.467 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 49.5 mm -106.06 128.02 27.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.2 -0.455 . . . . 0.91000000000000003 110.841 -175.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.649 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 23.9 Cg_exo -66.7 155.33 70.98 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 123.203 2.602 . . . . 0.34999999999999998 112.694 176.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.21 30.09 5.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.66 0.743 . . . . 0.42999999999999999 109.707 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 17.4 mt-30 -101.15 -162.81 0.97 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.701 -1.136 . . . . 1.6100000000000001 109.681 -177.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.6 m -56.84 142.25 41.69 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.926 0.393 . . . . 1.3 109.992 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.4 mtt -47.37 -26.69 1.37 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.132 -0.94 . . . . 1.29 112.947 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -52.64 -46.81 67.27 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.285 0.365 . . . . 2.2599999999999998 111.193 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.5 m -79.45 -42.6 25.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 1.2 110.546 -176.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.649 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -60.25 -48.01 83.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.845 -0.616 . . . . 0.38 111.828 -177.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.86 -38.33 82.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.802 0.334 . . . . 0.92000000000000004 110.669 -178.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -62.02 -42.92 99.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.048 0.451 . . . . 2.1899999999999999 110.588 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.86 -41.22 87.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.874 -0.603 . . . . 0.31 111.055 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.1 tp -65.86 -40.04 91.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.908 0.385 . . . . 1.03 110.934 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.14 -54.79 32.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.561 -0.745 . . . . 0.44 110.832 -175.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -66.54 -21.08 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.616 -0.72 . . . . 3.4100000000000001 112.087 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -81.16 -24.7 37.39 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.684 0.253 . . . . 1.52 111.684 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.6 p -117.77 3.66 12.27 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.714 -0.394 . . . . 0.76000000000000001 111.884 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 58.15 33.8 23.52 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.075 -0.511 . . . . 2.1099999999999999 111.021 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.457 HG21 HD11 ' A' ' 49' ' ' LEU . 32.6 p -104.75 162.4 13.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.22 -0.445 . . . . 0.76000000000000001 110.955 -176.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.862 HE21 ' HA ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -105.66 116.45 31.96 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.574 -0.528 . . . . 2.3900000000000001 109.574 175.712 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.511 HD23 ' HB ' ' A' ' 71' ' ' VAL . 74.9 mt -105.59 114.75 29.1 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.519 -0.548 . . . . 1.51 109.519 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.9 tp -103.74 115.15 29.95 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.993 -0.549 . . . . 2.0299999999999998 109.527 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -136.2 170.93 15.23 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.663 -0.699 . . . . 0.95999999999999996 109.681 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.1 m -130.86 134.41 25.96 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 110.106 -0.331 . . . . 1.78 110.106 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -48.93 -52.41 8.75 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.008 2.472 . . . . 1.3700000000000001 112.747 -174.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.589 ' CD ' ' H ' ' A' ' 33' ' ' GLU . 1.2 pm0 -71.2 -9.67 58.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.025 -0.534 . . . . 2.96 112.161 -178.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.51 -8.88 33.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 2.2200000000000002 110.401 -178.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.7 pt -119.9 -29.27 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 1.0900000000000001 110.737 178.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.81 -1.5 53.47 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.21 -0.519 . . . . 1.3999999999999999 113.075 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.23 40.77 92.3 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.05 -0.595 . . . . 1.05 112.203 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 pp -91.29 162.94 14.41 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.287 -0.264 . . . . 1.72 110.287 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 9.3 ptp85 -75.69 120.76 21.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.45 0.643 . . . . 3.77 110.123 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 p -84.85 165.8 17.41 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.488 -0.778 . . . . 0.56000000000000005 111.614 -174.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.5 m -86.49 95.14 9.61 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.0 -0.741 . . . . 1.54 109.0 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.26 127.27 28.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.581 -0.736 . . . . 0.83999999999999997 111.696 -173.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 43' ' ' LEU . 1.2 tm? -102.91 84.79 2.43 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.112 -1.07 . . . . 1.4199999999999999 108.112 175.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -99.33 94.65 6.57 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.883 -1.053 . . . . 2.4300000000000002 109.899 -174.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.83 -163.7 36.23 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.48 -0.867 . . . . 0.37 112.286 -178.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 15.1 ttt180 -110.97 113.64 26.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.022 -0.362 . . . . 3.27 110.022 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -151.42 168.39 25.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.006 0.431 . . . . 1.98 111.558 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.98 152.79 44.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.971 -1.013 . . . . 1.8600000000000001 110.604 175.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.457 HD11 HG21 ' A' ' 26' ' ' THR . 4.3 tt -57.75 -60.49 3.62 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.55 0.214 . . . . 1.1799999999999999 111.009 -173.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -59.82 -37.5 79.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.946 0.403 . . . . 2.3900000000000001 110.699 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.6 m -61.32 -47.79 84.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.731 -0.668 . . . . 1.3300000000000001 110.979 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.4 p -62.1 -39.09 91.33 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.761 0.315 . . . . 1.21 111.071 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.94 -45.81 87.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.216 -0.447 . . . . 0.69999999999999996 111.307 -178.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.31 -37.07 84.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.656 -0.247 . . . . 3.3799999999999999 111.427 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.3 mm -70.15 -32.83 52.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.966 0.412 . . . . 1.24 110.413 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -73.12 -48.07 38.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 1.6299999999999999 110.191 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.9 mt -96.97 22.78 7.94 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.381 -0.372 . . . . 2.1699999999999999 111.319 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -51.79 94.34 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.641 -0.709 . . . . 2.2999999999999998 112.358 176.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.42 42.04 57.16 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 121.102 -0.57 . . . . 1.4199999999999999 113.355 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.1 p -88.75 2.47 53.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.056 0.391 . . . . 1.25 112.056 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.72 10.72 58.85 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 121.09 -0.576 . . . . 1.3500000000000001 113.036 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.6 mt -110.37 165.46 11.76 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.783 -0.451 . . . . 1.28 109.783 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -111.36 124.23 51.82 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.677 0.275 . . . . 4.21 110.47 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.472 ' HA ' ' O ' ' A' ' 72' ' ' THR . 44.2 p90 -102.4 148.11 25.89 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.744 -0.465 . . . . 1.3700000000000001 109.744 173.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 73.5 mt-30 -131.08 105.67 7.86 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.322 -0.621 . . . . 2.6400000000000001 109.322 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.5 tt -111.55 113.82 45.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.372 0.606 . . . . 1.28 111.058 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -156.95 133.85 10.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.607 -0.724 . . . . 2.29 109.92 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.13 -122.17 23.08 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.087 -0.805 . . . . 1.3 111.087 -176.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -109.93 17.25 21.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.942 0.401 . . . . 2.3500000000000001 109.978 175.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m -111.01 124.19 51.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.882 -0.599 . . . . 0.96999999999999997 111.403 -176.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.511 ' HB ' HD23 ' A' ' 28' ' ' LEU . 40.6 t -126.32 108.58 19.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.952 -0.758 . . . . 0.68000000000000005 108.952 172.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.472 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 55.3 m -107.51 129.88 54.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.48 -0.327 . . . . 0.80000000000000004 111.069 -175.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.3 t -113.56 105.35 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.137 -0.483 . . . . 1.01 109.96 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 116.009 -0.542 . . . . 1.8700000000000001 110.437 -178.213 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 . . . . . 0 N--CA 1.451 -0.388 0 CA-C-O 120.829 0.347 . . . . 1.99 110.149 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.409 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 23.3 m-90 -127.73 150.62 49.71 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.06 -0.518 . . . . 1.1699999999999999 110.276 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.6 m -96.35 97.9 9.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.81 -0.811 . . . . 1.1299999999999999 108.81 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.1 mt -97.06 122.31 39.92 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.42 -0.809 . . . . 0.75 110.358 -172.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.84 101.69 14.27 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.268 -0.642 . . . . 2.1200000000000001 109.268 172.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.635 ' H ' ' HB3' ' A' ' 44' ' ' LYS . 40.5 mm -109.75 125.69 30.7 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.142 -0.481 . . . . 0.91000000000000003 111.075 -175.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.694 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 19.9 Cg_exo -68.3 165.59 28.24 Favored 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.773 2.982 . . . . 0.34999999999999998 112.884 178.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -117.99 22.47 12.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.42999999999999999 111.373 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -102.87 -157.42 0.61 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.021 -0.536 . . . . 1.6100000000000001 109.776 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 m -52.26 139.45 23.97 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 121.194 0.521 . . . . 1.3 111.299 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.424 ' HB2' HD12 ' A' ' 35' ' ' ILE . 19.0 mmt -46.72 -31.63 3.07 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 114.941 -1.027 . . . . 1.29 112.269 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -49.71 -43.12 47.33 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.354 0.409 . . . . 2.2599999999999998 110.699 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -78.27 -47.75 17.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.299 -0.41 . . . . 1.2 110.316 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.694 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -64.1 -43.47 95.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.38 111.793 -174.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.05 -48.56 67.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.09 -0.504 . . . . 0.92000000000000004 110.577 -177.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -61.99 -32.75 73.24 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.878 0.371 . . . . 2.1899999999999999 110.82 177.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.498 ' O ' ' HB2' ' A' ' 23' ' ' GLN . . . -66.88 -43.71 82.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.31 110.799 177.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.2 -37.45 80.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.997 0.427 . . . . 1.03 110.284 -178.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.28 -63.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.269 -0.878 . . . . 0.44 110.682 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -64.81 -21.3 66.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.309 -0.405 . . . . 3.4100000000000001 112.044 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -65.79 -31.81 72.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.9 0.381 . . . . 1.52 110.628 177.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -118.05 10.3 13.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.154 -0.476 . . . . 0.76000000000000001 110.975 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.9 t70 53.06 41.97 32.19 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.223 -0.898 . . . . 2.1099999999999999 110.766 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -105.05 -177.72 3.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.788 -0.642 . . . . 0.76000000000000001 111.219 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -125.03 130.02 51.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.871 -0.604 . . . . 2.3900000000000001 109.727 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.564 HD22 ' HB ' ' A' ' 71' ' ' VAL . 41.3 mt -117.47 127.98 54.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.872 0.368 . . . . 1.51 110.18 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.5 112.8 25.12 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.786 -0.82 . . . . 2.0299999999999998 108.786 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -153.07 152.17 31.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.233 -0.439 . . . . 0.95999999999999996 110.23 -176.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.1 m -106.06 113.49 63.54 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.562 -0.533 . . . . 1.78 109.562 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.99 -34.12 75.64 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.463 2.775 . . . . 1.3700000000000001 113.418 -176.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.55 -26.43 57.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.059 0.457 . . . . 2.96 111.115 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -92.8 -12.48 31.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.061 -0.518 . . . . 2.2200000000000002 110.848 -172.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.554 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 19.8 pt -95.66 5.92 8.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 1.0900000000000001 109.705 177.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.43 16.47 43.56 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.324 -0.853 . . . . 1.3999999999999999 114.095 173.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.69 42.75 78.72 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.911 -0.662 . . . . 1.05 111.986 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 92.6 mt -76.83 149.43 36.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.424 -0.213 . . . . 1.72 110.424 -176.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.685 ' H ' ' HD2' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -84.49 144.47 28.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.994 0.426 . . . . 3.77 109.89 175.84 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 p -85.27 156.1 21.09 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.669 -0.696 . . . . 0.56000000000000005 110.593 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.8 t -86.65 125.85 34.13 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.232 -1.025 . . . . 1.54 108.232 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -56.85 96.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.71 0.631 . . . . 0.83999999999999997 111.255 -176.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.4 tp -117.6 81.81 1.72 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.858 -0.793 . . . . 1.4199999999999999 108.858 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.635 ' HB3' ' H ' ' A' ' 8' ' ' ILE . 25.0 pttm -119.51 120.12 35.84 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 121.424 0.63 . . . . 2.4300000000000002 109.831 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.38 -162.31 33.4 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.076 -0.965 . . . . 0.37 111.411 -174.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 54.8 ttt180 -97.03 106.1 18.38 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.975 -0.38 . . . . 3.27 109.975 -177.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -141.08 160.78 39.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.372 -0.377 . . . . 1.98 110.507 -175.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -86.83 166.41 15.22 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.544 -0.539 . . . . 1.8600000000000001 109.544 172.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.4 tp -57.88 -55.2 38.03 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.302 0.376 . . . . 1.1799999999999999 111.765 -173.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.465 ' HA ' ' OE1' ' A' ' 50' ' ' GLN . 14.0 mm-40 -60.16 -45.91 91.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 2.3900000000000001 111.569 -175.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.0 t -60.47 -41.97 95.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.442 -0.344 . . . . 1.3300000000000001 110.549 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 m -62.07 -48.23 81.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.284 -0.417 . . . . 1.21 110.909 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.6 -45.96 87.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.154 0.502 . . . . 0.69999999999999996 110.665 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 25.2 ttt180 -61.98 -48.51 80.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.387 -0.824 . . . . 3.3799999999999999 111.353 -177.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.0 mt -72.34 -35.58 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.969 0.359 . . . . 1.24 111.969 -176.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.0 tt -66.89 -47.17 72.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 1.6299999999999999 110.802 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.693 ' HG ' ' HB3' ' A' ' 64' ' ' TYR . 3.9 mm? -79.07 -24.19 43.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.59 0.233 . . . . 2.1699999999999999 111.149 -179.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.468 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 8.7 tt0 -52.42 109.4 0.39 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.224 -0.444 . . . . 2.2999999999999998 111.243 175.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.29 63.41 1.19 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.619 -0.8 . . . . 1.4199999999999999 112.132 178.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.6 p -144.57 -36.25 0.32 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.012 0.434 . . . . 1.25 110.993 -176.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.25 7.79 51.43 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.218 -0.753 . . . . 1.3500000000000001 111.218 -172.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.7 mt -117.43 160.68 20.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.726 0.298 . . . . 1.28 110.361 -177.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -114.37 126.69 55.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 4.21 109.963 178.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.693 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 40.3 p90 -100.54 145.57 28.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.246 -0.434 . . . . 1.3700000000000001 110.727 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -133.3 126.95 32.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.766 -0.652 . . . . 2.6400000000000001 109.757 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.2 tt -103.01 123.43 56.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.442 0.639 . . . . 1.28 111.076 178.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -127.56 91.55 3.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.504 -0.771 . . . . 2.29 110.115 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.45 -99.55 0.4 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.26 -0.495 . . . . 1.3 112.524 -178.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -118.22 9.46 12.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.343 0.592 . . . . 2.3500000000000001 109.935 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 m -111.91 138.24 48.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.559 -0.746 . . . . 0.96999999999999997 109.672 177.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.564 ' HB ' HD22 ' A' ' 28' ' ' LEU . 22.9 t -126.02 135.36 64.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.583 -0.525 . . . . 0.68000000000000005 109.583 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.0 m -112.13 130.88 55.75 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.654 -0.248 . . . . 0.80000000000000004 110.54 -177.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.4 t -117.75 110.82 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.445 -0.343 . . . . 1.01 110.243 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 115.966 -0.561 . . . . 1.8700000000000001 110.151 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.672 0.272 . . . . 3.75 111.344 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 -81.11 62.1 4.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.429 0.633 . . . . 3.3399999999999999 110.17 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -131.18 166.44 21.12 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.329 -0.851 . . . . 1.99 108.792 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.535 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 29.7 m-90 -133.37 160.88 36.05 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 110.288 -0.264 . . . . 1.1699999999999999 110.288 -172.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.9 t -96.17 99.92 11.61 Favored 'General case' 0 N--CA 1.447 -0.609 0 N-CA-C 108.387 -0.968 . . . . 1.1299999999999999 108.387 173.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 77.9 mt -86.24 153.38 22.05 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.37 -0.832 . . . . 0.75 111.819 -170.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -130.55 98.27 4.62 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.949 -1.13 . . . . 2.1200000000000001 107.949 172.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.426 HD11 HD13 ' A' ' 20' ' ' LEU . 47.2 mm -117.72 125.92 27.7 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.015 -0.538 . . . . 0.91000000000000003 110.968 -172.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.719 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 26.1 Cg_exo -64.55 153.34 77.79 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.95 2.433 . . . . 0.34999999999999998 112.453 175.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -109.97 20.89 17.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.852 0.834 . . . . 0.42999999999999999 109.779 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.546 HE21 ' CB ' ' A' ' 15' ' ' SER . 12.1 pt20 -96.71 -150.02 0.33 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.566 -1.197 . . . . 1.6100000000000001 109.246 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.5 m -53.27 131.33 37.17 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.813 0.816 . . . . 1.3 111.388 178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.515 ' HB3' HD12 ' A' ' 35' ' ' ILE . 50.2 tpp -49.91 -34.41 20.28 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 114.294 -1.321 . . . . 1.29 112.57 -176.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -57.2 -33.06 67.11 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.393 -0.367 . . . . 2.2599999999999998 111.18 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.546 ' CB ' HE21 ' A' ' 11' ' ' GLN . 6.5 m -78.1 -44.96 24.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.913 -0.585 . . . . 1.2 110.626 -178.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.719 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -60.54 -46.46 90.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.97 -0.559 . . . . 0.38 111.542 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.64 -43.4 89.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.153 -0.476 . . . . 0.92000000000000004 110.992 -178.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -65.54 -37.39 86.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.931 0.396 . . . . 2.1899999999999999 111.063 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.48 -40.42 93.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.125 -0.489 . . . . 0.31 110.405 177.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.426 HD13 HD11 ' A' ' 8' ' ' ILE . 60.3 tp -65.87 -34.67 78.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.0 -0.545 . . . . 1.03 110.16 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.55 -57.01 14.55 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.137 -0.938 . . . . 0.44 110.628 -175.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -63.1 -36.63 84.24 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.353 -0.84 . . . . 3.4100000000000001 111.354 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -80.3 -18.52 49.03 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.887 0.699 . . . . 1.52 112.887 -171.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.8 p -120.32 9.34 10.99 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 120.635 -0.426 . . . . 0.76000000000000001 111.992 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 60.73 47.32 8.14 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.013 -0.54 . . . . 2.1099999999999999 111.017 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.6 p -128.54 154.66 45.93 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.003 0.43 . . . . 0.76000000000000001 111.44 -178.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -103.46 120.18 40.33 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.901 -0.591 . . . . 2.3900000000000001 109.53 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.573 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 9.8 mp -112.94 125.78 54.76 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.923 -0.399 . . . . 1.51 109.923 -176.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -106.47 120.76 42.77 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.917 -0.583 . . . . 2.0299999999999998 110.211 -178.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -156.53 157.67 35.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.339 -0.846 . . . . 0.95999999999999996 109.731 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.411 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 38.1 t -102.72 114.09 65.51 Favored Pre-proline 0 C--N 1.319 -0.758 0 CA-C-O 120.827 0.346 . . . . 1.78 110.313 178.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.87 -30.14 77.07 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 123.0 2.466 . . . . 1.3700000000000001 112.608 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.411 ' HG2' ' OG ' ' A' ' 31' ' ' SER . 13.6 pt-20 -76.89 -32.04 57.16 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.094 -0.503 . . . . 2.96 111.069 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.411 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 28.8 t70 -84.79 -8.02 58.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.963 -0.562 . . . . 2.2200000000000002 111.733 -171.298 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.515 HD12 ' HB3' ' A' ' 13' ' ' MET . 24.6 pt -96.89 -1.03 10.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 120.911 -0.316 . . . . 1.0900000000000001 111.116 -178.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 58.73 17.19 33.69 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 116.067 -0.515 . . . . 1.3999999999999999 114.304 173.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.05 40.38 93.13 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.804 -0.712 . . . . 1.05 112.569 -177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.9 mt -74.22 144.65 44.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.27 -0.27 . . . . 1.72 110.27 178.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 13.5 ptm180 -79.21 135.8 36.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.054 0.454 . . . . 3.77 110.238 176.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 p -83.96 156.47 22.3 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.731 -0.668 . . . . 0.56000000000000005 111.758 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.2 t -87.93 95.83 10.26 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 108.8 -0.815 . . . . 1.54 108.8 176.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.531 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -58.04 115.44 2.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.44 -0.8 . . . . 0.83999999999999997 111.932 -174.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.4 tp -114.25 83.59 1.9 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.455 -0.572 . . . . 1.4199999999999999 109.455 174.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.8 pttt -102.09 103.61 14.19 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.515 0.674 . . . . 2.4300000000000002 109.996 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 176.52 -162.98 31.86 Favored Glycine 0 N--CA 1.44 -1.045 0 N-CA-C 110.387 -1.085 . . . . 0.37 110.387 -174.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.535 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 34.0 ttm105 -98.74 111.86 24.11 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 117.139 0.47 . . . . 3.27 110.739 -179.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -155.6 161.68 40.78 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.593 -0.73 . . . . 1.98 110.689 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -79.56 157.02 27.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.359 -0.837 . . . . 1.8600000000000001 110.763 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.415 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 1.1 tm? -57.25 -58.28 8.91 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.116 0.166 . . . . 1.1799999999999999 111.124 -173.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -59.2 -41.53 88.75 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.044 0.45 . . . . 2.3900000000000001 110.983 -178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 14.7 m -63.09 -45.57 91.46 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.698 -0.683 . . . . 1.3300000000000001 111.003 179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 30.9 m -61.98 -42.74 99.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.341 -0.391 . . . . 1.21 110.823 179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 95.9 mt -57.38 -46.11 83.75 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.128 -0.487 . . . . 0.69999999999999996 110.219 177.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -61.48 -45.21 95.19 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.714 -0.675 . . . . 3.3799999999999999 111.271 -177.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 75.2 mt -67.77 -42.5 86.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.855 0.36 . . . . 1.24 111.468 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.11 -41.56 67.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.305 -0.407 . . . . 1.6299999999999999 110.833 -177.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 62' ' ' LEU . 3.0 tm? -72.13 -44.59 62.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.034 -0.53 . . . . 2.1699999999999999 110.805 -175.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -46.53 112.64 0.52 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.574 0.546 . . . . 2.2999999999999998 111.613 -177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.59 -13.66 5.61 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.585 -0.734 . . . . 1.4199999999999999 111.947 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 34.2 p -107.03 3.0 25.48 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.091 0.404 . . . . 1.25 112.091 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.12 25.22 53.58 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 114.16 0.424 . . . . 1.3500000000000001 114.16 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.487 ' HB2' HD11 ' A' ' 57' ' ' LEU . 80.8 mt -100.46 169.33 9.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.403 -0.469 . . . . 1.28 110.434 -178.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.501 ' HD3' ' HB2' ' A' ' 76' ' ' SER . 10.6 mpt_? -121.75 126.29 48.55 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.96 -0.385 . . . . 4.21 109.96 177.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -100.51 125.46 46.85 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.108 0.48 . . . . 1.3700000000000001 110.851 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.436 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 48.1 mt-30 -101.54 110.36 22.34 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.903 -0.589 . . . . 2.6400000000000001 109.81 175.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.41 HD12 HD12 ' A' ' 49' ' ' LEU . 7.7 tt -104.78 114.8 45.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 121.277 0.561 . . . . 1.28 110.451 178.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -135.62 101.25 4.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.881 -0.599 . . . . 2.29 110.346 -178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.06 -105.09 0.77 Allowed Glycine 0 N--CA 1.453 -0.181 0 C-N-CA 121.045 -0.597 . . . . 1.3 112.959 -178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -106.93 7.78 30.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.922 0.391 . . . . 2.3500000000000001 110.26 178.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.5 m -109.2 125.96 52.77 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.939 0.4 . . . . 0.96999999999999997 111.038 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.573 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 58.7 t -122.16 111.59 31.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.397 -0.594 . . . . 0.68000000000000005 109.397 175.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.436 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 19.1 m -110.38 112.52 24.51 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.891 0.377 . . . . 0.80000000000000004 110.542 -176.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.3 t -93.38 104.64 15.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 109.843 -0.429 . . . . 1.01 109.843 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.9 t -113.06 155.7 24.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.237 -0.438 . . . . 1.8700000000000001 110.334 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -101.91 108.24 19.64 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 116.321 -0.4 . . . . 1.72 110.229 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.501 ' HB2' ' HD3' ' A' ' 63' ' ' ARG . 18.4 m -102.26 103.55 14.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.388 -0.369 . . . . 2.8100000000000001 110.342 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.14 52.6 2.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.142 0.496 . . . . 4.6200000000000001 111.109 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -141.36 122.91 15.08 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.173 -0.467 . . . . 5.9900000000000002 110.568 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.05 61.5 2.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.216 0.532 . . . . 7.46 110.412 176.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -158.03 82.32 0.86 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.457 -0.792 . . . . 10.73 109.145 -177.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -88.25 145.16 26.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.958 0.409 . . . . 11.5 111.058 -176.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.903 0 CA-C-O 118.861 -0.966 . . . . 12.029999999999999 111.412 179.827 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.601 -0.148 . . . . 3.75 110.601 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 57.93 78.66 0.23 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.611 0.72 . . . . 3.3399999999999999 109.663 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.686 ' OE2' ' HA ' ' A' ' 47' ' ' HIS . 48.1 mt-10 -129.8 178.36 6.57 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.343 -0.844 . . . . 1.99 110.83 -169.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.484 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 22.3 m-90 -134.53 164.59 27.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.92 -0.582 . . . . 1.1699999999999999 110.084 -175.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.4 m -91.17 98.54 11.8 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.684 -0.858 . . . . 1.1299999999999999 108.684 176.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.3 mt -107.79 152.01 24.95 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.017 -0.538 . . . . 0.75 111.238 -172.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -133.0 106.11 7.47 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.732 -0.667 . . . . 2.1200000000000001 109.745 178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.445 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 1.8 mp -105.87 120.47 48.97 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 116.349 -0.387 . . . . 0.91000000000000003 110.518 -178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.71 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 32.0 Cg_exo -62.28 149.28 91.25 Favored 'Trans proline' 0 CA--C 1.53 0.324 0 C-N-CA 123.434 2.756 . . . . 0.34999999999999998 113.095 178.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -96.95 30.2 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.685 0.755 . . . . 0.42999999999999999 109.591 175.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -98.15 -151.13 0.37 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.56 -1.2 . . . . 1.6100000000000001 108.887 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 48.1 t -56.92 138.68 53.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.679 -0.489 . . . . 1.3 109.679 173.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.452 ' HB3' HD12 ' A' ' 35' ' ' ILE . 55.7 tpp -51.73 -26.23 9.0 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.779 -0.646 . . . . 1.29 110.727 176.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -55.37 -40.63 71.56 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.285 -0.871 . . . . 2.2599999999999998 110.907 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.0 m -74.18 -42.22 60.21 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.944 0.402 . . . . 1.2 110.453 -178.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.71 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -59.84 -47.41 85.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.838 -0.619 . . . . 0.38 111.797 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.31 -41.12 85.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.435 -0.348 . . . . 0.92000000000000004 110.893 -179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -63.36 -38.86 92.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.341 -0.39 . . . . 2.1899999999999999 110.429 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.26 -42.64 93.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.955 -0.566 . . . . 0.31 111.022 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.2 tp -66.28 -34.93 79.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.061 0.458 . . . . 1.03 110.124 -178.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.572 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -61.04 -54.12 48.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.036 -0.984 . . . . 0.44 110.587 -177.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -64.07 -42.47 96.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.673 -0.694 . . . . 3.4100000000000001 110.947 -179.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -62.69 -34.38 77.01 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.919 0.711 . . . . 1.52 112.919 -175.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.3 p -113.17 3.1 15.88 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.785 -0.366 . . . . 0.76000000000000001 111.75 -175.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.5 t70 56.7 49.01 15.21 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.351 -0.84 . . . . 2.1099999999999999 110.229 -176.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.3 p -113.65 160.64 18.38 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.349 -0.842 . . . . 0.76000000000000001 110.036 178.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -102.54 122.65 44.78 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.567 -0.531 . . . . 2.3900000000000001 109.567 178.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.572 HD23 ' HB2' ' A' ' 21' ' ' ALA . 2.1 mm? -101.78 122.91 44.85 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.466 -0.334 . . . . 1.51 110.32 -177.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.84 100.11 9.64 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.914 -0.773 . . . . 2.0299999999999998 108.914 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.444 ' CD1' ' HB3' ' A' ' 28' ' ' LEU . 37.7 p90 -156.77 160.61 39.42 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.914 -0.584 . . . . 0.95999999999999996 110.156 -175.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.438 ' O ' HG12 ' A' ' 35' ' ' ILE . 77.7 p -136.46 142.41 39.3 Favored Pre-proline 0 C--N 1.316 -0.856 0 N-CA-C 109.365 -0.606 . . . . 1.78 109.365 175.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.94 -20.2 43.53 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.747 2.298 . . . . 1.3700000000000001 111.103 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -66.65 -49.19 67.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.458 -0.792 . . . . 2.96 110.691 174.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -73.78 -33.23 64.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.93 -0.577 . . . . 2.2200000000000002 110.925 -173.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.52 HG13 ' H ' ' A' ' 37' ' ' GLY . 31.1 pt -94.74 -3.38 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.441 -0.345 . . . . 1.0900000000000001 111.608 -175.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.41 8.92 40.67 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 121.448 -0.406 . . . . 1.3999999999999999 113.687 175.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.52 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 63.23 43.35 98.67 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.199 -0.524 . . . . 1.05 112.73 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 pp -87.69 159.54 18.47 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.035 -0.357 . . . . 1.72 110.035 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -82.48 141.99 32.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.184 0.516 . . . . 3.77 111.249 -179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.1 p -90.67 158.04 17.13 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.386 -0.825 . . . . 0.56000000000000005 110.627 179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 55.4 m -89.56 125.29 35.16 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.559 -0.534 . . . . 1.54 109.559 173.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.548 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -57.5 106.09 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 O-C-N 123.752 0.658 . . . . 0.83999999999999997 111.489 -175.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 43' ' ' LEU . 0.9 OUTLIER -112.95 84.26 1.96 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.443 -0.947 . . . . 1.4199999999999999 108.443 178.107 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.8 pttt -121.27 124.94 45.85 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.315 0.578 . . . . 2.4300000000000002 110.487 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.59 -161.77 33.33 Favored Glycine 0 N--CA 1.441 -0.975 0 N-CA-C 110.677 -0.969 . . . . 0.37 110.677 -176.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.484 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 58.7 mtm180 -97.11 95.73 7.97 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.84 -0.43 . . . . 3.27 109.84 177.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.686 ' HA ' ' OE2' ' A' ' 3' ' ' GLU . 6.9 m-70 -145.51 159.32 43.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.081 -0.509 . . . . 1.98 111.017 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -85.79 175.85 8.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.674 -0.694 . . . . 1.8600000000000001 110.807 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.74 -54.82 42.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.154 -0.475 . . . . 1.1799999999999999 111.625 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -61.01 -45.1 96.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.445 -0.343 . . . . 2.3900000000000001 111.733 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.8 m -60.26 -43.93 95.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.756 0.312 . . . . 1.3300000000000001 110.837 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.6 m -60.92 -47.72 85.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.418 -0.355 . . . . 1.21 110.639 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.11 -42.82 99.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.25 -0.432 . . . . 0.69999999999999996 111.224 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -48.85 77.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.923 -0.581 . . . . 3.3799999999999999 110.566 -176.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.0 mt -72.96 -33.57 43.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.541 -0.299 . . . . 1.24 110.972 -177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.1 tp -67.08 -41.01 87.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.63 0.253 . . . . 1.6299999999999999 111.044 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.409 HD12 ' CD1' ' A' ' 64' ' ' TYR . 79.1 mt -101.8 14.32 32.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.854 0.359 . . . . 2.1699999999999999 111.104 -179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -53.83 92.5 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.446 -0.797 . . . . 2.2999999999999998 111.632 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 66.13 30.9 77.76 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 121.276 -0.488 . . . . 1.4199999999999999 113.162 176.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 41.9 p -89.97 0.87 56.85 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.056 0.455 . . . . 1.25 111.608 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.4 -5.44 84.49 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.947 -0.644 . . . . 1.3500000000000001 112.125 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 75' ' ' ALA . 67.6 mt -97.09 149.73 21.63 Favored 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 109.456 -0.572 . . . . 1.28 109.456 179.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -122.68 157.2 32.77 Favored 'General case' 0 C--N 1.315 -0.9 0 N-CA-C 108.406 -0.961 . . . . 4.21 108.406 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.504 ' HA ' ' O ' ' A' ' 72' ' ' THR . 51.5 p90 -141.41 127.97 20.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.466 0.651 . . . . 1.3700000000000001 111.84 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -107.53 123.09 47.93 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.339 -0.846 . . . . 2.6400000000000001 108.891 168.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.6 tt -102.87 98.53 6.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.893 0.854 . . . . 1.28 110.502 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -100.63 115.14 29.49 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.513 -0.767 . . . . 2.29 109.919 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.99 -111.59 4.32 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.885 -0.598 . . . . 1.3 112.076 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -112.0 12.67 20.69 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.188 0.518 . . . . 2.3500000000000001 109.88 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.3 m -113.31 131.64 55.87 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.757 -0.656 . . . . 0.96999999999999997 110.915 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.485 ' HB ' HD13 ' A' ' 28' ' ' LEU . 43.8 t -111.04 117.8 55.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.604 -0.726 . . . . 0.68000000000000005 109.221 -178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.504 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 7.5 m -103.05 106.7 17.27 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 120.842 0.353 . . . . 0.80000000000000004 110.572 -174.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.3 t -91.15 113.04 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.95 -0.568 . . . . 1.01 109.638 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 90.8 m -140.54 122.32 15.38 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.851 -0.613 . . . . 1.8700000000000001 111.269 -175.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' A' ' 62' ' ' LEU . . . -61.1 132.35 53.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.877 0.37 . . . . 1.72 110.651 176.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 43.5 m -150.52 83.11 1.36 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.078 0.466 . . . . 2.8100000000000001 110.792 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.97 107.62 6.23 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.848 -0.614 . . . . 4.6200000000000001 110.349 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -164.15 179.43 6.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.154 -0.476 . . . . 5.9900000000000002 110.045 -179.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 59.85 50.36 6.99 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.7 0.625 . . . . 7.46 111.775 176.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -100.32 144.53 29.22 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.758 -0.46 . . . . 10.73 109.758 176.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 65.43 51.73 1.5 Allowed 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.661 0.601 . . . . 11.5 110.647 -176.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.291 0 CA-C-O 118.625 -1.097 . . . . 12.029999999999999 111.772 178.876 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.1 m . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 120.847 0.356 . . . . 3.75 110.508 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -134.19 80.98 1.89 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.001 -0.545 . . . . 3.3399999999999999 109.866 -179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.66 175.97 5.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.1 0.476 . . . . 1.99 111.14 -176.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 28.6 m-90 -133.22 157.56 45.09 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.619 -0.718 . . . . 1.1699999999999999 109.309 177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 5' ' ' THR . 8.0 t -94.42 103.91 15.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.954 0.883 . . . . 1.1299999999999999 108.908 174.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -96.06 155.78 16.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.226 -0.897 . . . . 0.75 112.056 -169.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -140.25 107.73 5.57 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.103 -0.953 . . . . 2.1200000000000001 108.87 172.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.75 HD11 HD13 ' A' ' 20' ' ' LEU . 79.2 mt -121.01 124.63 27.34 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 115.723 -0.671 . . . . 0.91000000000000003 110.358 -174.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.886 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 50.1 Cg_exo -56.72 162.8 8.01 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.564 2.842 . . . . 0.34999999999999998 113.559 178.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -117.9 25.82 10.1 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.951 0.881 . . . . 0.42999999999999999 109.286 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 10.8 pt20 -104.61 -149.11 0.41 Allowed 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 113.839 -1.528 . . . . 1.6100000000000001 109.391 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.7 p -55.76 128.67 35.99 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.679 0.752 . . . . 1.3 110.865 175.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.457 ' HB3' HD12 ' A' ' 35' ' ' ILE . 48.9 ttm -52.15 -29.94 24.36 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 114.558 -1.201 . . . . 1.29 112.995 -174.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -58.18 -37.96 75.76 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.5 0.185 . . . . 2.2599999999999998 111.5 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.6 m -75.55 -39.12 58.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.433 0.635 . . . . 1.2 109.777 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.886 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.86 -43.81 98.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.231 -0.895 . . . . 0.38 111.765 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.514 ' O ' HD12 ' A' ' 28' ' ' LEU . 96.5 mt -65.14 -39.03 92.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.168 -0.469 . . . . 0.92000000000000004 110.856 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -63.56 -37.72 88.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.037 0.446 . . . . 2.1899999999999999 110.453 177.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.58 81.94 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.121 -0.49 . . . . 0.31 110.928 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.75 HD13 HD11 ' A' ' 8' ' ' ILE . 63.8 tp -65.46 -36.49 84.06 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 121.135 0.493 . . . . 1.03 109.875 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.99 -55.05 29.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.221 -0.9 . . . . 0.44 110.376 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -64.76 -34.19 77.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.635 -0.711 . . . . 3.4100000000000001 111.385 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -65.91 -26.74 67.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.434 -0.348 . . . . 1.52 111.769 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.1 p -115.32 1.64 13.8 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.756 0.28 . . . . 0.76000000000000001 111.756 -177.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 58.98 39.34 23.68 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.736 -0.666 . . . . 2.1099999999999999 110.745 -177.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.7 p -112.06 166.31 11.36 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.953 -0.567 . . . . 0.76000000000000001 110.896 -178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -103.77 119.5 39.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.215 -0.448 . . . . 2.3900000000000001 110.132 176.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.524 HD23 ' HB ' ' A' ' 71' ' ' VAL . 73.7 mt -112.18 115.19 28.42 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.023 -0.732 . . . . 1.51 109.023 177.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.7 mt -102.48 121.85 43.16 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.922 -0.581 . . . . 2.0299999999999998 110.284 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 45.6 p90 -157.68 155.4 29.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.004 0.43 . . . . 0.95999999999999996 110.91 -175.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.435 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 35.0 t -104.05 122.54 43.95 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 115.975 -0.557 . . . . 1.78 109.672 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -59.95 -36.75 89.1 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 123.548 2.832 . . . . 1.3700000000000001 113.568 -173.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -75.11 -27.44 59.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.228 0.537 . . . . 2.96 110.773 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.435 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 7.0 m-20 -87.58 -1.02 57.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.91 -0.586 . . . . 2.2200000000000002 111.749 -170.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.457 HD12 ' HB3' ' A' ' 13' ' ' MET . 30.4 pt -101.62 8.2 9.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.106 0.479 . . . . 1.0900000000000001 110.043 174.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.76 6.09 34.74 Favored Glycine 0 C--N 1.336 0.566 0 CA-C-N 115.328 -0.851 . . . . 1.3999999999999999 114.387 171.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.18 38.22 96.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.586 -0.816 . . . . 1.05 111.533 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 54.3 mt -83.56 157.93 22.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.665 -0.267 . . . . 1.72 110.296 -177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.42 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 33.6 ptt180 -79.41 143.89 34.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.169 0.509 . . . . 3.77 109.902 173.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.7 p -87.94 156.21 19.46 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 115.568 -0.742 . . . . 0.56000000000000005 111.308 179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 41.5 m -88.98 100.57 13.31 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.89 -0.781 . . . . 1.54 108.89 173.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.424 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -56.92 112.4 1.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.344 -0.844 . . . . 0.83999999999999997 111.622 -174.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 46.0 tp -115.06 91.61 3.67 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.289 0.566 . . . . 1.4199999999999999 109.628 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.3 ptmt -114.62 110.76 20.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.777 -0.647 . . . . 2.4300000000000002 110.382 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.24 -162.07 33.21 Favored Glycine 0 N--CA 1.443 -0.844 0 CA-C-N 115.043 -0.98 . . . . 0.37 111.247 -174.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -98.13 95.66 7.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.92 0.39 . . . . 3.27 109.992 -178.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -140.05 159.92 41.09 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.207 -0.451 . . . . 1.98 110.778 -178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -90.5 169.24 11.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.718 -0.674 . . . . 1.8600000000000001 109.633 176.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.457 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 46.6 tp -59.27 -57.76 11.6 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 123.302 0.376 . . . . 1.1799999999999999 111.898 -172.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -60.72 -44.26 96.84 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 111.976 0.362 . . . . 2.3900000000000001 111.976 -174.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.6 m -62.12 -40.59 96.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.762 0.315 . . . . 1.3300000000000001 110.87 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -62.56 -40.45 96.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.279 -0.419 . . . . 1.21 110.741 177.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 92.2 mt -61.66 -40.41 94.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.892 -0.595 . . . . 0.69999999999999996 110.306 177.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -61.78 -54.82 37.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.022 -0.535 . . . . 3.3799999999999999 111.23 178.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.6 mt -61.89 -36.41 73.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 1.24 111.539 -175.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.426 HD23 ' O ' ' A' ' 56' ' ' LEU . 5.3 tt -75.09 -37.11 61.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.455 -0.338 . . . . 1.6299999999999999 110.53 -178.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.6 mt -106.94 25.36 11.43 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.962 0.356 . . . . 2.1699999999999999 111.962 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.0 mm-40 -48.82 -66.7 0.36 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.051 0.453 . . . . 2.2999999999999998 112.125 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -128.1 41.16 1.62 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.735 -0.745 . . . . 1.4199999999999999 112.356 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 20.7 p -90.6 -13.44 34.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.528 0.204 . . . . 1.25 111.312 178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.37 6.18 78.28 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.777 -0.725 . . . . 1.3500000000000001 112.456 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.2 mt -111.96 156.28 22.37 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.068 -0.345 . . . . 1.28 110.068 -178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -123.19 173.27 8.01 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.977 -0.379 . . . . 4.21 109.977 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -141.2 131.06 24.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.172 0.511 . . . . 1.3700000000000001 111.44 -178.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -100.36 112.32 24.65 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.833 -0.803 . . . . 2.6400000000000001 108.833 171.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.3 tt -102.95 121.18 53.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.115 0.483 . . . . 1.28 111.002 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -129.64 95.38 3.97 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.709 -0.678 . . . . 2.29 109.792 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.88 -100.08 0.47 Allowed Glycine 0 CA--C 1.518 0.28 0 CA-C-N 115.761 -0.654 . . . . 1.3 112.865 -179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.469 ' H ' HD22 ' A' ' 69' ' ' ASN . 0.0 OUTLIER -118.16 9.56 12.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.409 0.624 . . . . 2.3500000000000001 110.154 -179.574 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.1 m -117.17 129.64 56.08 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.803 -0.635 . . . . 0.96999999999999997 109.945 178.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.524 ' HB ' HD23 ' A' ' 28' ' ' LEU . 42.9 t -127.08 132.76 69.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.802 0.334 . . . . 0.68000000000000005 110.245 -176.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.6 m -113.42 116.51 29.75 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.39 -0.368 . . . . 0.80000000000000004 110.541 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 56.8 t -81.2 116.6 25.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.032 0.444 . . . . 1.01 109.913 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 15.3 m -104.26 132.94 49.97 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.967 -0.56 . . . . 1.8700000000000001 110.317 -176.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.13 151.72 20.87 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.269 -0.423 . . . . 1.72 110.266 -178.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.6 t -110.65 117.31 33.16 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.803 -0.444 . . . . 2.8100000000000001 109.803 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -89.19 -69.68 0.7 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.095 -0.502 . . . . 4.6200000000000001 110.609 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 179.62 -71.86 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.947 -0.57 . . . . 5.9900000000000002 109.81 178.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -131.85 48.64 2.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.722 -0.672 . . . . 7.46 110.247 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -119.42 71.99 0.89 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.741 -0.663 . . . . 10.73 109.944 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -86.94 102.22 14.15 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.208 0.528 . . . . 11.5 109.649 179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.311 0 CA-C-O 118.011 -1.438 . . . . 12.029999999999999 110.651 -177.512 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 N--CA 1.479 1.003 0 CA-C-O 120.882 0.373 . . . . 3.75 110.323 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -136.27 132.15 35.39 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.193 -0.458 . . . . 3.3399999999999999 109.914 177.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -101.58 160.4 14.48 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.644 -0.502 . . . . 1.99 109.644 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.449 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 27.5 m-90 -126.67 148.21 49.86 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.912 -0.585 . . . . 1.1699999999999999 109.918 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.9 m -96.74 98.12 9.89 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.052 -1.092 . . . . 1.1299999999999999 108.052 172.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 81.3 mt -89.16 157.08 18.41 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.409 -0.814 . . . . 0.75 111.759 -170.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -136.62 98.15 3.73 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.331 -0.989 . . . . 2.1200000000000001 108.331 174.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.417 HG23 ' HB1' ' A' ' 16' ' ' ALA . 47.6 mm -106.99 122.17 42.47 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.812 -0.631 . . . . 0.91000000000000003 111.147 -171.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.657 ' HB3' HE22 ' A' ' 11' ' ' GLN . 48.0 Cg_exo -57.41 159.54 15.94 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 123.338 2.692 . . . . 0.34999999999999998 112.803 176.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -118.12 26.27 9.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.641 0.734 . . . . 0.42999999999999999 110.365 -178.335 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.657 HE22 ' HB3' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -109.51 -144.62 0.39 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.167 -0.924 . . . . 1.6100000000000001 109.502 179.771 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m -52.72 127.05 21.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.174 0.511 . . . . 1.3 110.968 178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 52.1 tpp -49.65 -33.75 16.45 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 114.862 -1.063 . . . . 1.29 111.952 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.94 HD21 ' HB3' ' A' ' 32' ' ' PRO . 15.6 m120 -56.98 -33.48 67.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.86 -0.609 . . . . 2.2599999999999998 111.948 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.7 m -79.35 -46.08 18.35 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.186 0.517 . . . . 1.2 110.007 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.599 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -63.91 -43.32 96.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.496 -0.774 . . . . 0.38 111.793 -176.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.8 mt -65.95 -42.98 89.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.615 -0.266 . . . . 0.92000000000000004 110.909 179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 22' ' ' LYS . 9.2 tt0 -62.9 -36.87 84.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.816 0.341 . . . . 2.1899999999999999 110.32 178.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.534 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -64.57 -42.56 95.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.499 . . . . 0.31 110.572 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.2 tp -65.68 -35.01 79.54 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.108 -0.496 . . . . 1.03 110.216 -178.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.09 -45.43 93.56 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.234 -0.894 . . . . 0.44 110.277 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.523 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 73.1 mmtt -63.17 -48.63 77.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.659 -0.7 . . . . 3.4100000000000001 110.713 178.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.534 ' HG3' ' O ' ' A' ' 19' ' ' ALA . 86.7 mt-30 -60.02 -32.34 70.8 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.622 -0.717 . . . . 1.52 112.227 -173.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.546 HG21 HD13 ' A' ' 49' ' ' LEU . 25.6 p -110.86 -3.29 15.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.063 0.459 . . . . 0.76000000000000001 111.471 -176.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.0 t70 57.8 41.32 25.15 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.198 -0.91 . . . . 2.1099999999999999 110.499 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.7 p -106.76 175.16 5.59 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.691 -0.686 . . . . 0.76000000000000001 111.203 -177.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 74.1 mm-40 -109.01 112.49 24.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.94 -0.573 . . . . 2.3900000000000001 110.25 175.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 77.8 mt -108.91 113.67 26.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.079 -0.51 . . . . 1.51 109.746 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.4 ' HA ' HD13 ' A' ' 29' ' ' LEU . 3.8 mm? -105.78 118.94 37.89 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.1 -0.5 . . . . 2.0299999999999998 109.953 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -147.95 153.74 39.43 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.705 -0.68 . . . . 0.95999999999999996 109.462 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.631 ' HB3' ' HB2' ' A' ' 34' ' ' ASP . 26.6 t -98.19 104.81 24.8 Favored Pre-proline 0 C--N 1.317 -0.833 0 N-CA-C 109.756 -0.461 . . . . 1.78 109.756 177.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.94 ' HB3' HD21 ' A' ' 14' ' ' ASN . 12.5 Cg_endo -57.32 -30.39 87.5 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.937 2.425 . . . . 1.3700000000000001 112.054 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.62 -37.32 73.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.83 -0.623 . . . . 2.96 110.414 177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.631 ' HB2' ' HB3' ' A' ' 31' ' ' SER . 4.0 m-20 -86.06 -1.43 57.36 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.641 0.608 . . . . 2.2200000000000002 112.641 -172.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.595 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 40.5 pt -99.53 -4.92 9.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.631 -0.427 . . . . 1.0900000000000001 111.001 178.568 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 62.96 15.69 56.19 Favored Glycine 0 CA--C 1.523 0.552 0 CA-C-N 116.236 -0.438 . . . . 1.3999999999999999 114.13 174.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.446 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 66.62 51.72 39.68 Favored Glycine 0 CA--C 1.52 0.347 0 C-N-CA 120.795 -0.717 . . . . 1.05 112.683 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.5 mt -81.77 165.44 20.91 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.403 -0.221 . . . . 1.72 110.403 177.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -98.45 148.65 23.5 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.701 -0.481 . . . . 3.77 109.701 174.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.3 p -89.35 151.61 21.97 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.813 -0.63 . . . . 0.56000000000000005 111.722 -178.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.7 t -87.89 119.99 28.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.337 -0.847 . . . . 1.54 108.879 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.511 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -59.49 100.55 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.941 -0.572 . . . . 0.83999999999999997 111.468 -177.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.9 tp -117.4 84.43 2.15 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.346 -0.612 . . . . 1.4199999999999999 109.346 176.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' HB3' ' H ' ' A' ' 8' ' ' ILE . 50.7 pttt -117.31 119.66 35.81 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.36 0.6 . . . . 2.4300000000000002 110.68 -177.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.53 -163.63 35.01 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.506 -0.77 . . . . 0.37 111.281 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.449 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 22.3 ttt180 -103.25 109.02 20.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.898 0.349 . . . . 3.27 110.416 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 42.2 m-70 -153.82 173.5 15.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.399 -0.364 . . . . 1.98 111.045 177.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -79.54 153.5 29.48 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.686 -0.688 . . . . 1.8600000000000001 110.054 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.546 HD13 HG21 ' A' ' 24' ' ' THR . 61.1 tp -57.48 -50.53 72.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.585 0.231 . . . . 1.1799999999999999 111.509 -175.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.8 tm0? -60.88 -44.82 96.57 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.43 . . . . 2.3900000000000001 110.654 -175.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.69 -39.36 88.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.436 -0.347 . . . . 1.3300000000000001 111.572 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 29.3 t -60.33 -49.6 76.93 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.3 -0.409 . . . . 1.21 110.103 177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.38 -40.05 85.27 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.101 -0.5 . . . . 0.69999999999999996 110.454 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -57.56 -46.73 83.6 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.518 -0.764 . . . . 3.3799999999999999 110.934 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 68.0 mt -76.58 -41.11 34.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.031 -0.531 . . . . 1.24 111.448 -175.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.8 -43.59 71.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 1.6299999999999999 111.231 -175.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.546 ' HG ' ' HB3' ' A' ' 64' ' ' TYR . 4.6 mm? -73.17 -47.02 47.29 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.506 0.558 . . . . 2.1699999999999999 112.506 -174.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -50.07 117.92 2.62 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 121.471 0.653 . . . . 2.2999999999999998 111.567 -177.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.03 -14.94 11.11 Favored Glycine 0 N--CA 1.447 -0.586 0 CA-C-N 115.623 -0.717 . . . . 1.4199999999999999 112.247 179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 47.9 p -89.88 -8.78 51.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.702 0.287 . . . . 1.25 111.646 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 80.1 2.95 89.43 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.554 -0.831 . . . . 1.3500000000000001 112.678 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 86.7 mt -102.39 164.66 11.55 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 120.779 0.323 . . . . 1.28 110.479 -177.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -116.73 132.07 56.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.11 -0.496 . . . . 4.21 109.987 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.546 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 31.1 p90 -100.41 118.21 36.18 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.243 0.544 . . . . 1.3700000000000001 110.801 179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -108.66 134.23 51.68 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.613 -0.721 . . . . 2.6400000000000001 109.817 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.0 tt -113.82 130.97 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.267 0.556 . . . . 1.28 111.053 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -132.32 98.47 4.4 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.548 -0.751 . . . . 2.29 109.934 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.31 -98.44 0.32 Allowed Glycine 0 CA--C 1.519 0.321 0 C-N-CA 120.976 -0.631 . . . . 1.3 112.177 -175.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -124.89 22.44 8.08 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.835 0.826 . . . . 2.3500000000000001 109.229 175.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.8 m -111.58 130.91 55.59 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.744 -1.116 . . . . 0.96999999999999997 109.496 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 58.4 t -119.21 125.7 74.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.897 -0.409 . . . . 0.68000000000000005 109.897 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 23.2 m -113.67 116.71 29.88 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.941 0.4 . . . . 0.80000000000000004 110.557 -177.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 45.9 t -97.94 103.53 14.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.984 -0.553 . . . . 1.01 110.112 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.2 t -132.56 165.14 25.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.027 -0.533 . . . . 1.8700000000000001 110.438 -176.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -108.0 135.89 48.61 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.636 -0.505 . . . . 1.72 109.636 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.8 m 58.86 -164.48 0.2 Allowed 'General case' 0 CA--C 1.537 0.448 0 O-C-N 123.324 0.39 . . . . 2.8100000000000001 110.154 -175.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -137.59 96.7 3.29 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.044 -0.41 . . . . 4.6200000000000001 111.099 178.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.03 160.08 19.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.102 -0.499 . . . . 5.9900000000000002 110.419 177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.54 -81.98 0.05 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.793 0.33 . . . . 7.46 111.51 -175.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.9 mtpp -129.95 -78.91 0.55 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.367 -0.605 . . . . 10.73 109.367 178.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -92.5 -23.36 19.13 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.35 -0.841 . . . . 11.5 109.014 174.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.297 0 CA-C-O 118.435 -1.203 . . . . 12.029999999999999 111.028 179.91 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 109.846 -0.427 . . . . 3.75 109.846 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 59.61 50.45 7.29 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.395 0.617 . . . . 3.3399999999999999 111.509 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.492 ' HB3' ' HG2' ' A' ' 46' ' ' ARG . 11.9 mt-10 -122.24 150.54 42.16 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.604 -0.726 . . . . 1.99 109.41 176.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.541 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 20.9 m-90 -134.32 159.28 41.49 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.793 -0.447 . . . . 1.1699999999999999 109.793 -178.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.1 m -91.12 98.24 11.63 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.598 -0.89 . . . . 1.1299999999999999 108.598 175.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.2 mt -97.56 151.81 19.67 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.39 -0.823 . . . . 0.75 110.704 -173.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -138.52 98.3 3.55 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.055 -0.721 . . . . 2.1200000000000001 109.055 175.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.468 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 1.8 mp -102.75 124.76 37.8 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.557 -0.747 . . . . 0.91000000000000003 110.776 -177.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.756 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 49.4 Cg_exo -59.18 162.12 14.78 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 123.673 2.915 . . . . 0.34999999999999998 113.448 179.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -110.83 25.5 11.71 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.464 -0.789 . . . . 0.42999999999999999 109.741 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -106.53 -158.85 0.67 Allowed 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.474 -1.239 . . . . 1.6100000000000001 108.971 177.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.8 m -50.2 132.02 23.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.012 0.434 . . . . 1.3 110.854 176.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.2 ttm -51.34 -25.22 5.61 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 115.273 -0.876 . . . . 1.29 111.191 179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.588 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 39.1 t-20 -53.38 -44.99 69.06 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.518 -0.764 . . . . 2.2599999999999998 110.459 176.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.4 m -77.45 -34.71 54.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.917 0.389 . . . . 1.2 110.453 -178.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.756 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.46 -41.52 97.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.966 -0.561 . . . . 0.38 111.046 177.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.3 mt -65.15 -40.76 94.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.21 -0.45 . . . . 0.92000000000000004 110.457 177.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.588 ' HG3' ' O ' ' A' ' 14' ' ' ASN . 77.5 mt-30 -60.34 -40.17 89.71 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 120.88 0.371 . . . . 2.1899999999999999 110.276 176.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.695 ' O ' ' HB2' ' A' ' 23' ' ' GLN . . . -66.61 -41.12 88.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.897 -0.592 . . . . 0.31 111.031 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.425 HD21 HD11 ' A' ' 8' ' ' ILE . 20.1 mt -67.02 -35.38 79.8 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.763 0.315 . . . . 1.03 110.968 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB2' HD11 ' A' ' 28' ' ' LEU . . . -60.11 -63.06 1.43 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 115.671 -0.695 . . . . 0.44 110.599 -177.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -64.41 -25.96 68.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 3.4100000000000001 111.064 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.695 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 2.0 tp-100 -61.65 -41.8 98.02 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.183 -0.462 . . . . 1.52 110.868 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.7 p -121.74 19.44 11.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.76000000000000001 111.471 -175.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 41.49 42.03 1.79 Allowed 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.004 0.922 . . . . 2.1099999999999999 112.304 -175.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.7 p -98.34 170.58 8.76 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 0.76000000000000001 111.333 -176.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.89 HE21 ' HA ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -106.62 135.75 47.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.071 -0.513 . . . . 2.3900000000000001 110.093 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.578 HD11 ' HB2' ' A' ' 21' ' ' ALA . 72.3 mt -103.61 131.72 50.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.944 0.402 . . . . 1.51 110.988 -178.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.9 tp -122.3 101.79 7.72 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.62 -0.718 . . . . 2.0299999999999998 109.745 177.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -168.0 162.53 13.35 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.141 -0.482 . . . . 0.95999999999999996 110.339 -178.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.422 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 14.1 m -102.47 111.39 64.57 Favored Pre-proline 0 C--N 1.32 -0.691 0 N-CA-C 109.244 -0.65 . . . . 1.78 109.244 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.532 ' O ' HG12 ' A' ' 35' ' ' ILE . 51.2 Cg_exo -54.18 -38.91 88.01 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 123.736 2.957 . . . . 1.3700000000000001 114.047 -171.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -76.85 -16.99 59.26 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.78 0.324 . . . . 2.96 111.436 -177.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.422 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 4.9 m-20 -89.91 -0.26 57.47 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.257 0.465 . . . . 2.2200000000000002 112.257 -173.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.532 HG12 ' O ' ' A' ' 32' ' ' PRO . 36.6 pt -98.83 0.26 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.755 -0.378 . . . . 1.0900000000000001 110.651 178.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.44 19.89 49.16 Favored Glycine 0 CA--C 1.52 0.365 0 CA-C-N 115.821 -0.627 . . . . 1.3999999999999999 114.049 173.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 55.73 37.72 69.94 Favored Glycine 0 CA--C 1.519 0.32 0 C-N-CA 121.168 -0.539 . . . . 1.05 112.69 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 91.5 mt -68.35 126.7 30.43 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.578 -0.527 . . . . 1.72 109.578 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -80.47 137.88 36.51 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.473 0.654 . . . . 3.77 111.148 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.4 p -92.5 163.37 13.85 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.126 -0.943 . . . . 0.56000000000000005 110.678 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.2 m -87.12 140.47 29.52 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.735 -0.839 . . . . 1.54 108.735 173.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.535 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -57.57 101.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 O-C-N 123.527 0.517 . . . . 0.83999999999999997 110.799 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.417 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 20.3 tp -110.13 98.88 8.05 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.52 -0.548 . . . . 1.4199999999999999 109.52 -178.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.502 ' HE3' ' HB2' ' A' ' 44' ' ' LYS . 15.1 ptmt -136.86 122.89 20.27 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-O 121.349 0.595 . . . . 2.4300000000000002 111.132 -179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 175.53 -163.69 33.64 Favored Glycine 0 N--CA 1.447 -0.601 0 CA-C-N 115.239 -0.891 . . . . 0.37 111.059 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.541 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 31.4 ttp180 -95.92 95.88 8.54 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.416 -0.587 . . . . 3.27 109.416 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -138.76 163.06 33.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.944 0.402 . . . . 1.98 111.467 -174.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -78.95 154.98 29.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.238 -0.892 . . . . 1.8600000000000001 109.287 173.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.513 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 61.2 tp -56.85 -47.7 79.79 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.067 0.46 . . . . 1.1799999999999999 110.639 -177.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -62.71 -34.85 77.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.794 -0.639 . . . . 2.3900000000000001 110.651 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.402 ' O ' HG13 ' A' ' 55' ' ' ILE . 46.5 t -61.64 -46.43 89.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.793 -0.639 . . . . 1.3300000000000001 109.829 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.7 t -60.85 -44.65 96.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.012 -0.54 . . . . 1.21 110.648 178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.61 -43.01 98.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.69999999999999996 111.103 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -66.73 -43.71 83.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.515 . . . . 3.3799999999999999 111.464 -176.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 51' ' ' SER . 79.8 mt -63.76 -44.46 98.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.829 0.347 . . . . 1.24 110.71 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.461 HD11 HG21 ' A' ' 8' ' ' ILE . 82.8 mt -70.58 -51.76 26.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.232 -0.44 . . . . 1.6299999999999999 111.869 -177.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.438 HD22 ' HB3' ' A' ' 64' ' ' TYR . 7.6 mp -95.12 23.22 5.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.586 0.232 . . . . 2.1699999999999999 111.536 -175.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -50.45 -55.91 13.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.122 -0.49 . . . . 2.2999999999999998 111.411 177.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -141.59 41.53 1.23 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.656 -0.783 . . . . 1.4199999999999999 112.498 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.3 p -87.32 -6.53 58.47 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.783 0.325 . . . . 1.25 111.772 178.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.79 -8.62 61.65 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.708 -0.758 . . . . 1.3500000000000001 112.498 179.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 77.9 mt -109.84 160.05 16.69 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.552 -0.536 . . . . 1.28 109.552 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -116.64 136.33 53.06 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.976 0.417 . . . . 4.21 110.855 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.438 ' HB3' HD22 ' A' ' 57' ' ' LEU . 22.4 p90 -99.19 145.47 27.19 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.598 -0.728 . . . . 1.3700000000000001 109.966 178.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.541 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 35.5 tt0 -139.83 134.75 32.18 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.495 -0.557 . . . . 2.6400000000000001 109.495 176.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.9 tt -120.04 135.43 60.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 120.977 0.418 . . . . 1.28 110.547 178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -150.43 117.47 5.94 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.081 -0.711 . . . . 2.29 109.081 177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.31 -107.08 1.74 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.629 -0.796 . . . . 1.3 111.365 -174.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -127.15 23.5 6.48 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.218 0.532 . . . . 2.3500000000000001 109.695 175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 50.7 m -107.86 132.72 53.15 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.704 -0.68 . . . . 0.96999999999999997 110.648 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 33.5 t -112.48 117.63 55.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.526 -0.761 . . . . 0.68000000000000005 109.556 179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.541 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 26.3 m -107.94 131.47 54.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.815 0.34 . . . . 0.80000000000000004 110.698 -176.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 57.1 t -114.97 106.44 20.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.175 -0.466 . . . . 1.01 109.905 177.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.3 t -111.31 151.13 28.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.16 -0.473 . . . . 1.8700000000000001 110.369 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -85.39 157.27 20.55 Favored 'General case' 0 N--CA 1.451 -0.42 0 CA-C-O 120.964 0.411 . . . . 1.72 111.61 -176.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.4 t -166.7 -155.86 0.21 Allowed 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.809 -0.811 . . . . 2.8100000000000001 108.809 178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 63.8 77.38 0.32 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.447 0.642 . . . . 4.6200000000000001 111.702 177.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.52 56.98 1.35 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.634 -0.712 . . . . 5.9900000000000002 110.205 176.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 58.13 -102.93 0.16 Allowed 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.561 -0.745 . . . . 7.46 111.226 -176.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -119.32 41.65 3.04 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.243 -0.651 . . . . 10.73 109.243 176.106 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 38.9 t70 63.73 45.46 4.5 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 122.011 0.91 . . . . 11.5 109.417 -174.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.971 0 CA-C-O 118.218 -1.323 . . . . 12.029999999999999 111.338 -176.774 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.8 m . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 120.858 0.361 . . . . 3.75 110.613 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -74.78 139.78 43.56 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.976 -0.557 . . . . 3.3399999999999999 110.017 176.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -105.91 150.76 25.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.305 -0.407 . . . . 1.99 109.93 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 20.2 m-90 -126.09 155.58 41.36 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.2 -0.454 . . . . 1.1699999999999999 110.78 -173.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 31.4 m -90.19 98.13 11.59 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.446 -0.946 . . . . 1.1299999999999999 108.446 174.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.664 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 75.6 mt -109.24 111.08 22.47 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.317 -0.856 . . . . 0.75 110.84 -171.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -96.82 97.84 9.63 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.368 -0.975 . . . . 2.1200000000000001 108.368 172.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.8 mm -98.5 123.98 48.19 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.939 -0.573 . . . . 0.91000000000000003 110.926 -172.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 52.5 Cg_exo -56.06 156.44 20.18 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 123.248 2.632 . . . . 0.34999999999999998 113.137 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.834 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -113.9 30.79 6.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.96 0.886 . . . . 0.42999999999999999 109.436 -178.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.598 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 9.3 pt20 -114.6 -157.42 0.63 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.432 -1.258 . . . . 1.6100000000000001 109.448 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.5 t -48.26 127.29 12.53 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.181 0.515 . . . . 1.3 110.47 177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.608 ' HG2' ' HB3' ' A' ' 40' ' ' SER . 51.1 mtt -50.19 -25.48 3.65 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.129 -0.941 . . . . 1.29 112.252 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -56.16 -37.44 69.53 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.106 0.254 . . . . 2.2599999999999998 110.731 178.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.0 m -81.91 -46.1 14.53 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 120.916 0.388 . . . . 1.2 110.493 -178.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.539 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -63.64 -46.49 85.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.665 -0.698 . . . . 0.38 112.101 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 99.0 mt -68.44 -37.25 80.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.558 -0.292 . . . . 0.92000000000000004 110.639 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -61.76 -42.41 98.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.144 0.497 . . . . 2.1899999999999999 110.182 175.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.1 88.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.779 -0.646 . . . . 0.31 110.94 178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.8 tp -65.13 -40.87 95.06 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.138 -0.483 . . . . 1.03 110.035 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.36 74.33 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.101 -0.954 . . . . 0.44 110.234 -177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -61.82 -49.06 77.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.618 -0.719 . . . . 3.4100000000000001 111.732 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -67.45 -19.27 65.34 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.518 0.562 . . . . 1.52 112.518 -172.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.9 p -115.01 2.62 14.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.187 0.518 . . . . 0.76000000000000001 111.003 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 t70 48.46 52.07 14.25 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.694 -1.139 . . . . 2.1099999999999999 110.769 -174.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.9 p -111.71 159.46 18.21 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.659 -0.701 . . . . 0.76000000000000001 111.163 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -103.35 109.47 21.1 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.542 -0.753 . . . . 2.3900000000000001 109.106 176.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.407 HD23 ' HB ' ' A' ' 71' ' ' VAL . 78.6 mt -102.77 121.14 41.85 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.936 0.398 . . . . 1.51 110.392 -177.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' HB3' ' HA ' ' A' ' 72' ' ' THR . 1.8 tm? -103.26 107.67 18.58 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.391 -0.966 . . . . 2.0299999999999998 108.391 178.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -142.67 154.22 44.13 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.127 -0.488 . . . . 0.95999999999999996 110.083 -178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.8 t -100.19 111.62 62.65 Favored Pre-proline 0 C--N 1.32 -0.697 0 CA-C-N 116.304 -0.407 . . . . 1.78 110.609 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.01 -28.2 87.21 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.946 2.431 . . . . 1.3700000000000001 111.712 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -75.73 -27.18 58.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.879 -0.6 . . . . 2.96 111.291 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -88.5 -19.93 25.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.598 0.237 . . . . 2.2200000000000002 111.571 -177.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.468 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 23.0 pt -92.26 -18.87 7.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.838 -0.43 . . . . 1.0900000000000001 109.838 174.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.24 2.75 20.96 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.936 -0.574 . . . . 1.3999999999999999 113.368 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.82 39.91 38.02 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.912 -0.661 . . . . 1.05 112.346 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 3.9 pp -92.41 172.69 8.23 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.604 -0.517 . . . . 1.72 109.604 178.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.598 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 8.8 ptp180 -82.44 137.65 34.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.345 0.593 . . . . 3.77 111.949 -174.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.608 ' HB3' ' HG2' ' A' ' 13' ' ' MET . 11.1 p -88.06 166.68 14.27 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.009 -0.996 . . . . 0.56000000000000005 110.645 175.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 m -85.95 115.41 23.55 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.768 -0.651 . . . . 1.54 109.82 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.834 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -61.21 105.88 0.55 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.869 -0.605 . . . . 0.83999999999999997 111.316 -177.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.9 tp -110.91 82.94 1.67 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.205 -0.665 . . . . 1.4199999999999999 109.205 177.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.664 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 23.5 pttm -103.53 110.41 22.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.842 -0.617 . . . . 2.4300000000000002 111.134 -174.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.52 -162.28 34.03 Favored Glycine 0 N--CA 1.453 -0.228 0 CA-C-N 115.638 -0.71 . . . . 0.37 111.829 -177.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -93.35 108.15 19.86 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.062 -0.718 . . . . 3.27 109.062 176.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -138.65 151.26 47.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.879 0.371 . . . . 1.98 110.933 -174.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -84.75 161.93 19.82 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.797 -0.816 . . . . 1.8600000000000001 108.797 171.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.521 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 58.7 tp -56.71 -52.05 66.47 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.947 0.403 . . . . 1.1799999999999999 110.401 -179.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -58.23 -43.52 87.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.661 -0.699 . . . . 2.3900000000000001 110.908 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.2 m -62.26 -46.45 88.77 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.98 -0.555 . . . . 1.3300000000000001 110.818 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.9 m -60.13 -45.09 94.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 1.21 110.875 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 92.9 mt -60.88 -49.47 77.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.013 -0.54 . . . . 0.69999999999999996 111.425 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -60.47 -42.14 95.59 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.429 0.529 . . . . 3.3799999999999999 112.429 -174.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.8 -41.21 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 C-N-CA 120.946 -0.302 . . . . 1.24 110.954 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.3 tt -71.09 -35.91 72.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.355 0.598 . . . . 1.6299999999999999 109.913 179.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.766 HD22 ' HD2' ' A' ' 64' ' ' TYR . 12.6 tp -72.68 -15.71 61.7 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.529 -0.76 . . . . 2.1699999999999999 111.266 -177.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -56.3 -34.33 66.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.861 -0.608 . . . . 2.2999999999999998 111.694 -176.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -116.44 11.89 16.3 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.248 -0.977 . . . . 1.4199999999999999 113.346 -175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' A' ' 57' ' ' LEU . 20.4 p -102.95 -7.85 21.14 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.567 0.58 . . . . 1.25 112.567 -179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 57.89 19.05 35.31 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 121.265 -0.493 . . . . 1.3500000000000001 114.177 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 93.8 mt -105.98 179.87 4.14 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.946 0.373 . . . . 1.28 110.392 -176.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.938 ' HG3' ' HB2' ' A' ' 76' ' ' SER . 26.5 mmt180 -129.37 163.15 26.4 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.796 -0.446 . . . . 4.21 109.796 178.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.766 ' HD2' HD22 ' A' ' 57' ' ' LEU . 45.7 p90 -124.93 130.68 52.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.206 0.527 . . . . 1.3700000000000001 111.321 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -107.61 112.72 25.59 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.144 -0.688 . . . . 2.6400000000000001 109.144 171.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 10.8 tt -115.58 129.77 71.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.263 0.554 . . . . 1.28 111.452 -173.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -144.38 115.34 7.85 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.915 -0.584 . . . . 2.29 109.594 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.61 -104.16 0.88 Allowed Glycine 0 CA--C 1.518 0.248 0 C-N-CA 120.711 -0.757 . . . . 1.3 112.017 -175.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -122.72 13.92 10.04 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.309 0.576 . . . . 2.3500000000000001 109.659 175.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 87.6 m -103.29 126.64 50.56 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.729 -0.668 . . . . 0.96999999999999997 110.135 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.407 ' HB ' HD23 ' A' ' 28' ' ' LEU . 21.3 t -125.61 120.16 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.836 -0.62 . . . . 0.68000000000000005 109.992 -178.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.462 ' HA ' ' HB3' ' A' ' 29' ' ' LEU . 59.0 m -109.91 116.1 31.02 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 116.276 -0.42 . . . . 0.80000000000000004 110.126 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 42.1 t -81.37 122.01 35.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.377 -0.601 . . . . 1.01 109.377 178.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.1 t -136.27 165.08 26.6 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.972 0.415 . . . . 1.8700000000000001 110.855 -173.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -100.65 119.52 38.69 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.989 -0.55 . . . . 1.72 110.171 178.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.938 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 19.3 m -153.69 166.81 31.64 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.415 -0.357 . . . . 2.8100000000000001 110.26 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -140.46 146.18 37.9 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.203 -0.453 . . . . 4.6200000000000001 109.919 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -86.21 -177.97 6.38 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.085 -0.339 . . . . 5.9900000000000002 110.085 178.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 60.69 57.89 2.57 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.597 0.713 . . . . 7.46 110.115 -176.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -86.83 44.99 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.522 -0.763 . . . . 10.73 110.98 -175.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 62.93 -87.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.524 -0.762 . . . . 11.5 112.031 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.209 -1.328 . . . . 12.029999999999999 111.325 -176.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 121.237 0.541 . . . . 3.75 111.522 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -129.59 147.91 51.44 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.084 -0.71 . . . . 3.3399999999999999 109.084 175.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -101.21 147.46 26.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.428 0.633 . . . . 1.99 111.079 -177.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.413 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 24.8 m-90 -109.71 138.15 46.49 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.042 -0.981 . . . . 1.1699999999999999 109.23 176.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -90.72 97.04 10.94 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.415 -0.957 . . . . 1.1299999999999999 108.415 175.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.7 mt -102.04 157.02 17.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.057 -0.974 . . . . 0.75 111.488 -170.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -141.07 98.94 3.48 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 108.458 -0.941 . . . . 2.1200000000000001 108.458 173.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 94.2 mt -108.18 122.81 39.44 Favored Pre-proline 0 C--N 1.315 -0.893 0 CA-C-N 115.467 -0.788 . . . . 0.91000000000000003 111.048 -173.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 49.0 Cg_exo -59.84 156.45 38.19 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 123.896 3.064 . . . . 0.34999999999999998 114.018 -177.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -104.62 32.56 4.02 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.005 -0.998 . . . . 0.42999999999999999 109.148 173.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -100.46 -155.56 0.52 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.473 -1.24 . . . . 1.6100000000000001 109.079 179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.4 m -53.56 137.85 35.61 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.17 0.51 . . . . 1.3 110.331 174.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 51.3 tpp -49.97 -29.3 8.23 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.024 -0.989 . . . . 1.29 111.526 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -54.65 -40.77 69.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.693 -0.685 . . . . 2.2599999999999998 111.16 176.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 25.6 m -75.95 -38.61 57.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.577 0.227 . . . . 1.2 110.607 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.43 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -57.74 -51.01 71.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.38 110.755 176.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.65 -43.37 84.77 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.884 -0.598 . . . . 0.92000000000000004 110.639 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.53 ' O ' ' HG3' ' A' ' 22' ' ' LYS . 34.5 tt0 -59.81 -45.55 92.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.119 -0.491 . . . . 2.1899999999999999 110.543 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.16 -35.01 78.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.237 -0.438 . . . . 0.31 110.976 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.6 tp -65.5 -42.13 92.44 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.9 0.381 . . . . 1.03 110.768 -178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.03 -46.27 88.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.587 -0.733 . . . . 0.44 110.631 -175.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 18' ' ' GLN . 25.4 mtpp -63.83 -34.61 78.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.23 -0.896 . . . . 3.4100000000000001 111.335 -178.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 -86.72 -23.85 25.38 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.782 0.66 . . . . 1.52 112.782 -172.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.8 p -113.65 6.68 17.01 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.177 -0.609 . . . . 0.76000000000000001 112.22 -177.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 57.51 35.79 26.21 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.138 -0.483 . . . . 2.1099999999999999 111.539 178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.6 p -103.31 159.65 15.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.049 0.452 . . . . 0.76000000000000001 111.782 -175.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -103.58 119.09 38.2 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.212 -0.662 . . . . 2.3900000000000001 109.212 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.502 HD23 ' HB ' ' A' ' 71' ' ' VAL . 65.2 mt -107.66 122.3 46.43 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.362 0.601 . . . . 1.51 111.589 -173.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.45 ' O ' ' HA ' ' A' ' 72' ' ' THR . 1.1 tm? -110.53 93.82 4.69 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 107.515 -1.291 . . . . 2.0299999999999998 107.515 174.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.538 ' O ' ' HD3' ' A' ' 32' ' ' PRO . 40.3 p90 -117.6 162.8 17.42 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.186 -0.461 . . . . 0.95999999999999996 110.53 -174.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.439 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 23.5 m -106.25 95.28 11.05 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.503 -0.771 . . . . 1.78 110.476 -178.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.538 ' HD3' ' O ' ' A' ' 30' ' ' TYR . 17.1 Cg_exo -66.72 -37.13 22.13 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.756 2.304 . . . . 1.3700000000000001 112.273 -177.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -73.07 -30.11 63.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.189 0.518 . . . . 2.96 109.848 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 25.5 t70 -80.34 -18.06 50.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.446 -0.797 . . . . 2.2200000000000002 111.598 -176.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.459 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 45.2 pt -90.64 -20.37 6.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.093 -0.643 . . . . 1.0900000000000001 110.1 177.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 59.16 32.64 72.02 Favored Glycine 0 C--N 1.334 0.424 0 CA-C-N 115.288 -0.869 . . . . 1.3999999999999999 114.045 169.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.78 87.08 0.55 Allowed Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.838 -0.696 . . . . 1.05 112.505 178.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.2 mt -119.51 159.03 25.1 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.163 -0.31 . . . . 1.72 110.163 179.036 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.39 139.87 49.62 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.517 -0.549 . . . . 3.77 109.517 170.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.427 ' OG ' ' HB2' ' A' ' 16' ' ' ALA . 5.1 p -92.57 159.67 15.38 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.556 -0.747 . . . . 0.56000000000000005 111.348 -176.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.6 t -88.29 127.03 35.46 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 107.933 -1.136 . . . . 1.54 107.933 170.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.45 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -53.26 110.8 0.59 Allowed 'General case' 0 C--O 1.236 0.362 0 O-C-N 123.642 0.589 . . . . 0.83999999999999997 111.213 -175.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 43' ' ' LEU . 1.9 tm? -110.23 86.0 2.22 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.347 -0.982 . . . . 1.4199999999999999 108.347 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.51 110.89 15.63 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.49 -0.777 . . . . 2.4300000000000002 110.429 -175.351 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 172.72 -163.57 35.52 Favored Glycine 0 N--CA 1.442 -0.96 0 CA-C-N 115.523 -0.762 . . . . 0.37 111.444 -178.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.413 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 78.8 mtp180 -102.23 110.42 22.37 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.638 -0.505 . . . . 3.27 109.638 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -144.24 156.96 44.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.492 -0.322 . . . . 1.98 110.488 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -78.94 162.28 26.1 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.246 -0.65 . . . . 1.8600000000000001 109.246 173.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.3 tp -60.59 -56.02 26.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 117.677 0.217 . . . . 1.1799999999999999 111.213 -174.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -58.32 -40.33 81.77 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 120.934 0.397 . . . . 2.3900000000000001 111.143 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.467 ' O ' HG13 ' A' ' 55' ' ' ILE . 4.3 m -61.83 -45.85 92.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.74 -0.664 . . . . 1.3300000000000001 110.775 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -61.05 -41.11 95.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.037 -0.528 . . . . 1.21 110.953 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 97.8 mt -64.72 -39.99 94.57 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.064 -0.516 . . . . 0.69999999999999996 110.816 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -65.19 -39.26 92.61 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.975 -0.557 . . . . 3.3799999999999999 111.144 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 51' ' ' SER . 67.8 mt -64.42 -52.47 54.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.654 0.264 . . . . 1.24 111.232 179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.79 -38.34 81.63 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.292 0.478 . . . . 1.6299999999999999 112.292 -178.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.441 ' HA ' ' OG1' ' A' ' 60' ' ' THR . 8.4 mp -104.37 11.63 34.42 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.292 0.478 . . . . 2.1699999999999999 112.292 -174.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -56.37 -44.1 79.83 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.618 0.599 . . . . 2.2999999999999998 112.618 -177.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -127.28 16.29 6.34 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.06 -1.067 . . . . 1.4199999999999999 113.271 -173.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 57' ' ' LEU . 11.8 p -96.17 2.23 52.92 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.867 0.365 . . . . 1.25 111.617 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 62.68 22.3 63.89 Favored Glycine 0 C--N 1.333 0.361 0 C-N-CA 121.139 -0.553 . . . . 1.3500000000000001 113.285 -179.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.7 mt -100.7 158.94 15.58 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.973 -0.38 . . . . 1.28 109.973 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.498 ' HA ' ' NE ' ' A' ' 63' ' ' ARG . 4.5 mmp_? -120.99 127.3 51.65 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.801 0.334 . . . . 4.21 110.196 177.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.405 ' HB3' HD22 ' A' ' 57' ' ' LEU . 39.7 p90 -100.42 117.6 34.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.768 -0.651 . . . . 1.3700000000000001 109.635 177.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.473 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 49.1 tt0 -106.57 115.44 30.2 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 109.505 -0.554 . . . . 2.6400000000000001 109.505 178.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.3 tt -98.95 114.95 38.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-O 121.563 0.697 . . . . 1.28 110.121 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -119.94 99.54 6.68 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.932 -1.031 . . . . 2.29 109.422 -176.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.52 -103.36 0.67 Allowed Glycine 0 CA--C 1.519 0.296 0 C-N-CA 121.034 -0.603 . . . . 1.3 112.061 -174.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -112.73 9.16 19.14 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.256 0.551 . . . . 2.3500000000000001 109.949 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 12.1 m -105.73 136.78 44.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.702 -0.681 . . . . 0.96999999999999997 110.527 -178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.502 ' HB ' HD23 ' A' ' 28' ' ' LEU . 47.7 t -119.27 122.28 68.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 109.405 -0.591 . . . . 0.68000000000000005 109.405 176.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.473 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 15.2 m -103.23 114.96 29.67 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.504 -0.316 . . . . 0.80000000000000004 110.307 -176.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.0 t -103.6 104.02 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.04 -0.527 . . . . 1.01 110.112 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.1 t -138.52 150.94 46.89 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.733 -0.667 . . . . 1.8700000000000001 110.022 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -67.38 152.77 45.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.806 0.336 . . . . 1.72 110.393 176.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.407 ' OG ' ' HG2' ' A' ' 63' ' ' ARG . 16.5 m -71.46 100.65 2.25 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.146 -0.479 . . . . 2.8100000000000001 110.797 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.81 -44.31 64.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.288 0.566 . . . . 4.6200000000000001 109.805 178.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -116.46 122.88 46.06 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.533 -0.758 . . . . 5.9900000000000002 109.542 175.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.11 37.84 0.45 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.876 0.37 . . . . 7.46 111.654 -176.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -79.06 -63.12 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.606 -0.516 . . . . 10.73 109.606 178.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 35.3 t70 60.48 97.4 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 O-C-N 124.012 0.82 . . . . 11.5 111.835 177.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.337 -1.257 . . . . 12.029999999999999 111.452 177.145 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.478 0.946 0 CA-C-O 120.999 0.428 . . . . 3.75 110.66 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -128.52 36.61 4.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.571 0.7 . . . . 3.3399999999999999 109.199 178.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -111.43 170.95 7.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.872 -1.058 . . . . 1.99 109.735 -176.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 12.2 m-90 -118.25 149.34 41.28 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.965 -0.561 . . . . 1.1699999999999999 110.498 -178.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 24.6 m -91.51 98.35 11.62 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 108.019 -1.104 . . . . 1.1299999999999999 108.019 172.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.529 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 76.8 mt -112.12 119.13 37.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.632 -0.713 . . . . 0.75 111.597 -170.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.497 ' HA ' ' HB3' ' A' ' 44' ' ' LYS . 14.3 t70 -95.0 115.86 27.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.261 -0.644 . . . . 2.1200000000000001 109.261 169.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.643 HD11 HD23 ' A' ' 20' ' ' LEU . 35.1 mm -105.15 120.95 48.08 Favored Pre-proline 0 C--N 1.319 -0.737 0 CA-C-O 120.753 0.311 . . . . 0.91000000000000003 110.3 179.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.519 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 32.4 Cg_exo -60.18 146.1 97.06 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 123.166 2.578 . . . . 0.34999999999999998 112.639 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.45 29.64 4.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.635 0.731 . . . . 0.42999999999999999 109.816 176.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -95.17 -156.76 0.53 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.998 -1.001 . . . . 1.6100000000000001 109.285 178.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.2 m -53.55 140.73 27.61 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.034 0.445 . . . . 1.3 110.207 174.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.41 ' HB3' HD12 ' A' ' 35' ' ' ILE . 50.7 tpp -51.14 -33.65 27.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.087 -0.96 . . . . 1.29 111.615 -177.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -55.46 -38.39 68.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 2.2599999999999998 111.024 176.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.2 t -70.57 -44.11 68.06 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.919 -0.4 . . . . 1.2 109.919 -176.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.519 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.61 -47.02 85.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.867 -0.606 . . . . 0.38 111.009 -178.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.44 ' O ' HD12 ' A' ' 28' ' ' LEU . 96.3 mt -64.86 -50.35 66.97 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.971 -0.559 . . . . 0.92000000000000004 110.999 -178.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -62.25 -37.44 85.44 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.786 0.327 . . . . 2.1899999999999999 110.879 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.46 -35.4 80.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.301 -0.409 . . . . 0.31 110.787 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.643 HD23 HD11 ' A' ' 8' ' ' ILE . 2.7 tm? -66.05 -41.45 90.8 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.352 -0.61 . . . . 1.03 109.352 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.86 -51.55 67.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.47 -0.786 . . . . 0.44 110.199 -177.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -63.29 -51.22 66.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.019 -0.991 . . . . 3.4100000000000001 111.578 -179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -72.73 -25.55 61.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.679 -0.691 . . . . 1.52 112.806 -169.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.16 13.15 21.85 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.22 0.533 . . . . 0.76000000000000001 110.941 -176.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 19.2 t70 53.15 62.07 2.85 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.744 -1.116 . . . . 2.1099999999999999 111.189 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.0 p -139.12 165.14 27.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.189 -0.46 . . . . 0.76000000000000001 111.378 -176.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -110.85 123.11 49.47 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.397 -0.594 . . . . 2.3900000000000001 109.397 175.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.556 HD23 ' HB ' ' A' ' 71' ' ' VAL . 76.7 mt -120.43 127.07 51.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.099 0.476 . . . . 1.51 111.065 -176.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -107.64 121.77 45.36 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.825 -0.625 . . . . 2.0299999999999998 109.675 176.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -157.46 151.12 24.06 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.9 -0.591 . . . . 0.95999999999999996 109.972 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 m -106.47 111.35 64.11 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 116.38 -0.373 . . . . 1.78 110.553 177.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.95 -23.64 69.12 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.993 2.462 . . . . 1.3700000000000001 112.464 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -71.55 -40.94 69.69 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.784 -0.644 . . . . 2.96 111.326 -179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -88.03 -5.83 58.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.858 -0.61 . . . . 2.2200000000000002 111.882 -170.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.446 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 29.9 pt -97.3 12.19 4.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.86 0.362 . . . . 1.0900000000000001 110.506 179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 70.35 -6.63 5.57 Favored Glycine 0 CA--C 1.52 0.371 0 CA-C-N 115.64 -0.709 . . . . 1.3999999999999999 114.686 170.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.42 49.04 21.39 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.253 -0.975 . . . . 1.05 111.088 -174.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 58.9 mt -83.73 173.24 11.49 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.531 -0.335 . . . . 1.72 110.166 -178.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.52 144.18 46.22 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.794 -0.447 . . . . 3.77 109.794 174.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 p -90.87 160.85 15.5 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.66 -0.7 . . . . 0.56000000000000005 112.162 -174.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.7 t -91.88 134.02 35.14 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.184 -0.916 . . . . 1.54 109.127 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.19 105.38 0.33 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.83999999999999997 111.457 -176.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.43 HD22 ' HA ' ' A' ' 43' ' ' LEU . 1.3 tm? -115.78 99.61 7.43 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.828 -0.805 . . . . 1.4199999999999999 108.828 176.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 30.1 pttt -135.92 126.51 27.05 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.343 0.592 . . . . 2.4300000000000002 111.47 -178.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.61 -162.59 33.57 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 114.891 -1.05 . . . . 0.37 110.654 -178.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.08 97.46 9.95 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.451 -0.574 . . . . 3.27 109.451 177.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 -137.48 148.63 46.21 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.184 -0.462 . . . . 1.98 110.192 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -82.66 179.17 7.87 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.973 -0.38 . . . . 1.8600000000000001 109.973 175.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 60.6 tp -58.74 -57.28 13.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.472 -0.331 . . . . 1.1799999999999999 111.339 -176.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -63.61 -36.99 85.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.496 -0.32 . . . . 2.3900000000000001 110.911 -176.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 38.2 t -60.46 -54.31 47.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.434 -0.348 . . . . 1.3300000000000001 110.583 178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.7 p -61.96 -43.62 98.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.259 -0.428 . . . . 1.21 111.389 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 91.0 mt -60.34 -46.65 89.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.593 -0.276 . . . . 0.69999999999999996 111.476 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.6 mmt180 -61.73 -42.11 98.53 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 111.858 0.318 . . . . 3.3799999999999999 111.858 -177.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 70.2 mt -73.49 -45.31 52.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.679 0.276 . . . . 1.24 111.178 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 tt -68.49 -46.81 68.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.018 -0.537 . . . . 1.6299999999999999 111.128 -175.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.749 HD11 ' HB2' ' A' ' 62' ' ' LEU . 22.7 tp -71.07 -36.02 72.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.365 -0.38 . . . . 2.1699999999999999 111.112 -174.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -46.82 111.2 0.36 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.871 -0.604 . . . . 2.2999999999999998 112.389 178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 114.18 -12.74 21.77 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.693 -0.765 . . . . 1.4199999999999999 113.373 175.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 70.0 p -91.82 -8.12 47.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 117.088 0.444 . . . . 1.25 112.184 -177.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.59 10.23 84.72 Favored Glycine 0 CA--C 1.52 0.354 0 C-N-CA 120.663 -0.779 . . . . 1.3500000000000001 113.045 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.749 ' HB2' HD11 ' A' ' 57' ' ' LEU . 64.8 mt -101.05 161.16 13.79 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.964 -0.384 . . . . 1.28 109.964 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 63' ' ' ARG . 49.3 mtt180 -127.34 145.6 50.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.477 -0.329 . . . . 4.21 110.213 177.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -105.9 121.83 44.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.3 0.571 . . . . 1.3700000000000001 110.901 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.44 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 6.5 tp-100 -97.45 105.88 18.1 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.471 -0.937 . . . . 2.6400000000000001 108.471 171.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.7 tt -101.91 124.7 55.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.487 0.661 . . . . 1.28 111.662 -171.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -126.78 88.85 2.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.541 -0.754 . . . . 2.29 109.585 177.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.6 -98.2 0.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.731 -0.668 . . . . 1.3 112.693 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -113.08 -0.86 14.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.159 0.504 . . . . 2.3500000000000001 110.543 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 63.2 m -108.43 132.18 54.03 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.788 -0.642 . . . . 0.96999999999999997 109.988 179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.556 ' HB ' HD23 ' A' ' 28' ' ' LEU . 50.3 t -128.23 130.25 69.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 120.77 0.319 . . . . 0.68000000000000005 110.412 -176.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.44 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 30.2 m -108.44 112.92 25.58 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.185 -0.461 . . . . 0.80000000000000004 109.946 178.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 40.4 t -90.29 106.34 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.147 0.498 . . . . 1.01 110.115 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 10.1 t -112.54 147.62 36.22 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.797 -0.638 . . . . 1.8700000000000001 110.55 -177.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.31 134.44 35.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.233 -0.44 . . . . 1.72 109.927 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.9 t -77.43 -21.42 53.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.541 -0.299 . . . . 2.8100000000000001 110.534 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 59.8 -86.49 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.76 -0.654 . . . . 4.6200000000000001 111.781 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -155.0 19.13 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.47 -0.332 . . . . 5.9900000000000002 110.561 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -155.36 174.49 15.16 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.42 -0.355 . . . . 7.46 110.905 -175.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -127.42 18.81 6.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.293 0.568 . . . . 10.73 110.02 176.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -142.49 142.36 32.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.757 -0.656 . . . . 11.5 109.664 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.693 -1.059 . . . . 12.029999999999999 111.794 -179.414 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.476 0.826 0 N-CA-C 109.616 -0.513 . . . . 3.75 109.616 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 56.99 76.46 0.31 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.685 0.615 . . . . 3.3399999999999999 111.31 -178.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -105.52 177.58 4.81 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.272 -0.876 . . . . 1.99 109.523 -178.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . . . . . . . . . 24.9 m-90 -129.51 154.55 46.9 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.815 -0.809 . . . . 1.1699999999999999 108.815 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 5' ' ' THR . 6.9 t -88.16 97.29 10.91 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.043 -1.095 . . . . 1.1299999999999999 108.043 173.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.739 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 84.0 mt -95.26 94.68 8.02 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.336 -1.302 . . . . 0.75 109.72 -173.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.499 ' HA ' ' CB ' ' A' ' 44' ' ' LYS . 4.7 m-20 -100.93 97.76 8.31 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.826 -1.079 . . . . 2.1200000000000001 108.663 -178.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.533 HD11 HD13 ' A' ' 20' ' ' LEU . 96.0 mt -109.9 125.05 31.99 Favored Pre-proline 0 C--N 1.313 -1.018 0 CA-C-N 115.227 -0.897 . . . . 0.91000000000000003 111.472 -169.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.681 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 45.0 Cg_exo -58.02 158.73 20.38 Favored 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 124.077 3.184 . . . . 0.34999999999999998 114.243 -175.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.07 28.94 7.55 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.787 -1.097 . . . . 0.42999999999999999 109.434 178.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.444 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 12.2 mt-30 -99.11 -161.79 0.9 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.446 -1.252 . . . . 1.6100000000000001 109.252 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 p -55.47 137.53 48.19 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.073 0.463 . . . . 1.3 110.077 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.411 ' HB2' HD12 ' A' ' 35' ' ' ILE . 34.7 mtt -50.95 -25.28 4.45 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.354 -0.839 . . . . 1.29 112.655 -178.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -55.38 -43.36 75.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.635 0.255 . . . . 2.2599999999999998 110.497 175.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.4 m -76.69 -44.58 33.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.1 0.476 . . . . 1.2 110.243 -178.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.681 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.45 -50.78 71.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.588 -0.733 . . . . 0.38 111.907 -176.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.51 -39.16 85.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.258 -0.428 . . . . 0.92000000000000004 110.7 -177.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -65.26 -34.25 77.91 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.015 0.436 . . . . 2.1899999999999999 110.735 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.403 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -66.89 -38.79 86.93 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.31 110.294 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.533 HD13 HD11 ' A' ' 8' ' ' ILE . 65.2 tp -65.33 -34.69 78.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.826 -0.624 . . . . 1.03 109.74 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.89 -45.28 95.21 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 115.415 -0.811 . . . . 0.44 110.248 -178.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.1 ttpp -64.5 -47.59 78.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.776 -0.647 . . . . 3.4100000000000001 110.901 177.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.654 ' OE1' ' HA ' ' A' ' 6' ' ' LEU . 78.1 mt-30 -65.14 -37.26 86.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.773 -0.649 . . . . 1.52 112.579 -171.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.9 p -110.57 18.0 20.16 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 122.099 -0.375 . . . . 0.76000000000000001 111.356 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 40.95 37.56 0.55 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.096 0.958 . . . . 2.1099999999999999 112.302 -178.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 p -99.97 167.28 10.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.655 -0.702 . . . . 0.76000000000000001 111.273 -176.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -106.72 118.83 37.7 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.806 -0.634 . . . . 2.3900000000000001 110.024 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.55 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 8.5 mp -115.01 131.79 56.81 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.207 0.527 . . . . 1.51 110.713 -177.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 29' ' ' LEU . 3.7 mm? -107.57 116.84 32.67 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.548 -0.751 . . . . 2.0299999999999998 109.537 177.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -152.33 142.88 22.72 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.955 -0.566 . . . . 0.95999999999999996 109.868 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.9 t -108.14 125.62 31.59 Favored Pre-proline 0 C--N 1.318 -0.779 0 CA-C-N 116.186 -0.461 . . . . 1.78 109.793 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.33 -28.44 84.73 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.903 2.402 . . . . 1.3700000000000001 111.89 176.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 82.8 mt-10 -71.85 -34.22 69.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.58 . . . . 2.96 109.945 176.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -79.64 -26.31 41.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.527 -0.76 . . . . 2.2200000000000002 111.027 -173.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.477 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 17.8 pt -93.78 -19.3 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.713 0.292 . . . . 1.0900000000000001 110.831 177.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.58 4.49 65.56 Favored Glycine 0 CA--C 1.519 0.293 0 C-N-CA 121.066 -0.588 . . . . 1.3999999999999999 113.423 175.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.2 34.75 19.84 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.594 -0.812 . . . . 1.05 112.217 -178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 90.1 mt -75.98 143.97 41.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.09 -0.337 . . . . 1.72 110.09 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 37.7 ptt180 -90.1 137.93 31.93 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.244 0.545 . . . . 3.77 110.326 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 p -88.5 161.19 17.13 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.485 -0.779 . . . . 0.56000000000000005 111.462 -177.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 37.1 m -86.54 132.37 33.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.556 -0.747 . . . . 1.54 109.726 176.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.4 106.16 0.31 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.7 -0.682 . . . . 0.83999999999999997 111.997 -174.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 tt -116.82 93.62 4.27 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.146 -1.057 . . . . 1.4199999999999999 108.146 175.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.739 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 21.5 pttp -131.38 121.21 24.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.398 0.618 . . . . 2.4300000000000002 110.957 -178.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.26 -163.7 35.31 Favored Glycine 0 N--CA 1.446 -0.643 0 CA-C-N 115.583 -0.735 . . . . 0.37 111.678 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 34.2 ttt180 -99.95 98.16 8.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.969 0.414 . . . . 3.27 110.094 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -137.74 173.8 11.26 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.089 -0.505 . . . . 1.98 110.186 -178.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -95.43 171.73 8.52 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.057 -0.72 . . . . 1.8600000000000001 109.057 171.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.18 -56.37 22.37 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 111.884 0.327 . . . . 1.1799999999999999 111.884 -177.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -57.81 -49.29 77.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.078 -0.51 . . . . 2.3900000000000001 112.229 -174.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.6 m -61.79 -39.22 90.91 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.713 0.292 . . . . 1.3300000000000001 111.624 -177.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.3 m -61.13 -41.2 96.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.559 -0.291 . . . . 1.21 110.981 177.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 98.1 mt -62.89 -34.34 77.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.281 -0.418 . . . . 0.69999999999999996 110.74 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.4 ' HD2' ' OH ' ' A' ' 64' ' ' TYR . 27.2 mmm180 -59.57 -51.01 71.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 3.3799999999999999 111.02 179.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 54.5 mt -80.61 -31.63 12.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.152 -0.476 . . . . 1.24 111.645 -174.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.461 ' HB3' HD22 ' A' ' 57' ' ' LEU . 3.5 tt -65.89 -46.72 77.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.469 -0.332 . . . . 1.6299999999999999 110.927 -175.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.807 HD12 ' HB2' ' A' ' 62' ' ' LEU . 3.0 mm? -86.16 -18.39 32.37 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 121.092 -0.243 . . . . 2.1699999999999999 111.03 -177.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -50.19 101.01 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.045 -0.525 . . . . 2.2999999999999998 111.943 174.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 111.27 -17.91 26.08 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.553 -0.832 . . . . 1.4199999999999999 113.582 174.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.9 p -92.68 -2.64 55.9 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 117.277 0.539 . . . . 1.25 111.811 -176.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.5 19.84 67.21 Favored Glycine 0 CA--C 1.518 0.281 0 C-N-CA 121.135 -0.555 . . . . 1.3500000000000001 113.705 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.807 ' HB2' HD12 ' A' ' 57' ' ' LEU . 59.5 mt -92.22 154.48 18.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 122.388 -0.478 . . . . 1.28 110.277 -179.162 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.442 ' HB2' ' HB2' ' A' ' 76' ' ' SER . 28.4 tpt180 -112.89 125.16 54.06 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.962 -0.563 . . . . 4.21 109.724 -179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.4 ' OH ' ' HD2' ' A' ' 54' ' ' ARG . 44.0 p90 -113.51 122.97 48.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.244 0.545 . . . . 1.3700000000000001 111.311 179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.441 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 1.2 mp0 -100.26 107.7 19.59 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.957 -0.757 . . . . 2.6400000000000001 108.957 174.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 9.5 tt -109.5 125.73 66.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.061 0.458 . . . . 1.28 110.756 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -145.99 122.74 11.22 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.833 -0.621 . . . . 2.29 109.85 177.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.55 -108.03 1.65 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.707 . . . . 1.3 112.192 -176.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.3 p-10 -121.45 17.89 11.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.457 0.646 . . . . 2.3500000000000001 109.996 178.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 31.5 m -113.93 132.19 56.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.394 -0.821 . . . . 0.96999999999999997 110.383 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.55 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 47.4 t -128.97 128.81 67.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.209 -0.451 . . . . 0.68000000000000005 110.046 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.441 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 22.9 m -114.62 119.08 35.54 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.834 -0.432 . . . . 0.80000000000000004 109.834 178.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.0 t -113.34 112.99 42.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.487 -0.324 . . . . 1.01 110.483 -176.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 11.7 t -133.11 149.65 52.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.073 -0.512 . . . . 1.8700000000000001 110.57 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.76 108.63 14.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.44 -0.345 . . . . 1.72 110.667 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.442 ' HB2' ' HB2' ' A' ' 63' ' ' ARG . 28.7 t -86.0 124.85 32.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.262 -0.426 . . . . 2.8100000000000001 110.508 -177.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -81.43 132.46 35.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.203 -0.453 . . . . 4.6200000000000001 110.0 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.99 158.58 17.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.446 -0.343 . . . . 5.9900000000000002 110.978 -177.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.13 -60.08 3.8 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.934 0.397 . . . . 7.46 110.862 179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -97.41 134.88 40.08 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.954 -0.566 . . . . 10.73 109.534 176.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -144.12 122.0 12.0 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.192 -0.458 . . . . 11.5 110.948 -172.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.897 0 CA-C-O 118.747 -1.029 . . . . 12.029999999999999 111.495 177.781 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.6 p . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 120.798 0.333 . . . . 3.75 110.957 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -112.69 110.39 20.5 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.379 -0.373 . . . . 3.3399999999999999 110.473 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -103.09 163.19 12.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.04 -0.527 . . . . 1.99 109.583 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.532 ' HZ3' ' H ' ' A' ' 49' ' ' LEU . 30.1 m-90 -126.45 150.43 48.69 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.488 -0.56 . . . . 1.1699999999999999 109.488 179.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 m -88.73 99.29 12.24 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.962 -0.755 . . . . 1.1299999999999999 108.962 178.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.662 ' HA ' HE22 ' A' ' 23' ' ' GLN . 70.2 mt -101.49 148.59 25.01 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.863 -0.608 . . . . 0.75 111.65 -170.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -139.1 106.51 5.54 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.275 -1.009 . . . . 2.1200000000000001 108.275 173.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.489 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 87.0 mt -115.09 125.74 28.61 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 115.458 -0.792 . . . . 0.91000000000000003 111.187 -169.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.633 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 47.5 Cg_exo -58.52 156.63 30.55 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 123.646 2.897 . . . . 0.34999999999999998 113.708 -177.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.542 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -109.94 22.21 15.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.053 -0.976 . . . . 0.42999999999999999 109.676 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.54 HE21 ' CB ' ' A' ' 15' ' ' SER . 11.6 pt20 -99.43 -150.9 0.38 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 114.982 -1.008 . . . . 1.6100000000000001 109.079 178.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.3 t -51.08 131.96 27.54 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.163 0.506 . . . . 1.3 110.94 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.43 ' HB3' HD12 ' A' ' 35' ' ' ILE . 46.7 tpp -50.41 -28.37 8.04 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 114.922 -1.036 . . . . 1.29 110.895 178.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.433 HD22 ' HB3' ' A' ' 32' ' ' PRO . 23.3 t-20 -53.51 -42.61 67.52 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.541 -0.754 . . . . 2.2599999999999998 111.266 177.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.54 ' CB ' HE21 ' A' ' 11' ' ' GLN . 8.5 m -78.23 -39.23 41.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.834 0.349 . . . . 1.2 110.58 -176.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.633 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -59.29 -45.18 91.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 0.38 111.257 -178.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.3 mt -65.44 -41.11 93.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.124 -0.489 . . . . 0.92000000000000004 110.985 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -65.58 -37.21 86.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.661 0.267 . . . . 2.1899999999999999 111.083 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.547 ' O ' ' HG3' ' A' ' 23' ' ' GLN . . . -65.83 -41.83 91.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.826 0.346 . . . . 0.31 110.698 178.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.485 HD13 HD11 ' A' ' 8' ' ' ILE . 67.0 tp -65.73 -35.07 79.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 1.03 110.148 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.429 ' HB2' HD13 ' A' ' 28' ' ' LEU . . . -62.0 -58.3 8.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.225 -0.898 . . . . 0.44 111.034 -176.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.1 mtmp? -65.74 -22.14 66.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.957 -0.565 . . . . 3.4100000000000001 112.034 -176.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.662 HE22 ' HA ' ' A' ' 6' ' ' LEU . 7.9 mt-30 -83.36 -22.58 32.76 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.634 -0.426 . . . . 1.52 111.748 -178.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 25.6 p -116.54 1.54 12.93 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.758 -0.377 . . . . 0.76000000000000001 111.886 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.9 t70 57.52 47.06 16.83 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.485 -0.78 . . . . 2.1099999999999999 110.344 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 18.1 p -114.48 156.26 24.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.771 -0.65 . . . . 0.76000000000000001 110.89 -179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -104.09 120.31 40.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.605 -0.517 . . . . 2.3900000000000001 109.605 177.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.429 HD13 ' HB2' ' A' ' 21' ' ' ALA . 10.5 mp -110.19 130.5 55.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.173 0.511 . . . . 1.51 110.941 -176.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.8 tp -112.54 111.24 21.92 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.559 -0.746 . . . . 2.0299999999999998 109.453 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -151.98 151.36 31.09 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.379 -0.373 . . . . 0.95999999999999996 110.163 -178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.438 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 50.6 m -96.21 107.48 35.47 Favored Pre-proline 0 C--N 1.319 -0.734 0 N-CA-C 109.463 -0.569 . . . . 1.78 109.463 177.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 31' ' ' SER . 35.6 Cg_exo -59.8 -37.1 88.76 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 123.54 2.826 . . . . 1.3700000000000001 113.641 -172.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -79.23 -22.48 44.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.315 0.579 . . . . 2.96 110.523 -178.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -81.69 -15.67 53.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.767 -0.651 . . . . 2.2200000000000002 110.892 -174.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.43 HD12 ' HB3' ' A' ' 13' ' ' MET . 24.6 pt -97.55 13.78 4.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.179 0.514 . . . . 1.0900000000000001 109.868 177.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.2 -17.05 1.92 Allowed Glycine 0 C--N 1.334 0.426 0 CA-C-N 115.575 -0.739 . . . . 1.3999999999999999 114.225 172.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 74.18 37.78 48.13 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.139 -1.029 . . . . 1.05 111.139 -174.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' A' ' 38' ' ' LEU . 3.8 pp -84.87 161.77 19.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.533 -0.543 . . . . 1.72 109.533 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 5.2 ptp180 -80.57 142.38 34.15 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.234 0.54 . . . . 3.77 111.048 -177.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.4 p -89.85 160.11 16.64 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.183 -0.917 . . . . 0.56000000000000005 110.553 178.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.9 t -87.64 124.67 33.78 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.099 -0.704 . . . . 1.54 109.099 176.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.542 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -56.82 108.68 0.53 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.831 -0.622 . . . . 0.83999999999999997 111.434 -177.152 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.9 tp -111.27 87.24 2.5 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.45 0.643 . . . . 1.4199999999999999 109.627 177.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.5 ptmm? -115.93 117.56 30.52 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.651 -0.704 . . . . 2.4300000000000002 110.56 -177.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.58 -163.58 34.91 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 111.204 -0.758 . . . . 0.37 111.204 -179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.532 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 38.4 ttp180 -115.62 103.06 10.34 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 117.406 0.603 . . . . 3.27 109.768 179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 93.4 m-70 -142.83 171.75 13.63 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.817 0.341 . . . . 1.98 111.183 -178.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -72.35 164.63 26.01 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.487 -0.779 . . . . 1.8600000000000001 110.249 176.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.532 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 64.2 tp -60.71 -58.32 8.96 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.103 0.478 . . . . 1.1799999999999999 110.006 176.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -61.9 -34.32 75.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.428 -0.805 . . . . 2.3900000000000001 111.185 -179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.2 t -62.28 -49.99 73.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.264 -0.425 . . . . 1.3300000000000001 110.25 177.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.6 m -61.64 -42.25 98.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 1.21 111.106 178.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 96.0 mt -56.89 -44.33 82.2 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-O 120.866 0.365 . . . . 0.69999999999999996 110.767 177.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 54' ' ' ARG . 41.5 ttp180 -60.29 -47.28 86.69 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.98 -0.555 . . . . 3.3799999999999999 111.149 179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.4 mt -64.18 -47.13 91.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.788 0.328 . . . . 1.24 111.503 -178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.535 ' HB3' HD12 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -69.25 -35.4 76.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.916 0.389 . . . . 1.6299999999999999 110.912 -176.086 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.535 HD12 ' HB3' ' A' ' 56' ' ' LEU . 8.4 mp -106.49 20.86 18.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.721 -0.218 . . . . 2.1699999999999999 111.54 -177.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -52.25 -38.57 58.53 Favored 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.334 0.494 . . . . 2.2999999999999998 112.334 177.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -164.18 34.02 0.28 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.658 -0.782 . . . . 1.4199999999999999 112.313 -179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.466 ' OG1' ' HA ' ' A' ' 57' ' ' LEU . 2.1 p -88.17 -0.49 57.15 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.886 0.374 . . . . 1.25 111.552 -179.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.18 1.87 86.1 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.761 -0.733 . . . . 1.3500000000000001 112.093 177.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 81.4 mt -99.72 150.19 22.56 Favored 'General case' 0 N--CA 1.449 -0.488 0 N-CA-C 109.919 -0.4 . . . . 1.28 109.919 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.751 ' HB2' HG23 ' A' ' 74' ' ' THR . 49.7 mtp180 -117.76 138.37 52.09 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.094 -0.503 . . . . 4.21 109.913 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 34.7 p90 -103.26 117.36 34.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.529 0.68 . . . . 1.3700000000000001 111.057 179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.549 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 26.4 tt0 -108.01 113.42 26.58 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.327 -0.851 . . . . 2.6400000000000001 109.433 174.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.4 tt -99.89 126.29 53.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.429 0.633 . . . . 1.28 110.553 -177.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -134.39 101.86 5.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.404 -0.816 . . . . 2.29 109.761 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.04 -105.52 0.79 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.913 -0.66 . . . . 1.3 112.381 -175.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -110.03 9.2 24.25 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.027 0.442 . . . . 2.3500000000000001 110.32 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 37.5 m -108.1 134.38 51.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.807 -0.633 . . . . 0.96999999999999997 111.127 -178.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.413 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 40.9 t -112.57 112.83 42.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 108.77 -0.826 . . . . 0.68000000000000005 108.77 175.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.549 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 9.2 m -101.18 116.86 33.81 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 110.06 -0.348 . . . . 0.80000000000000004 110.06 -176.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.3 t -98.68 112.7 31.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.016 -0.538 . . . . 1.01 110.077 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . 0.751 HG23 ' HB2' ' A' ' 63' ' ' ARG . 1.9 t -110.29 130.84 55.47 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.011 -0.541 . . . . 1.8700000000000001 109.905 177.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.43 131.31 35.54 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.077 -0.51 . . . . 1.72 110.755 -178.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.2 p -107.39 127.06 53.24 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.863 -0.421 . . . . 2.8100000000000001 109.863 178.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 60.23 36.51 20.84 Favored 'General case' 0 N--CA 1.463 0.192 0 O-C-N 123.582 0.551 . . . . 4.6200000000000001 111.476 178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.18 0.96 14.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.124 0.488 . . . . 5.9900000000000002 110.305 178.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -97.66 111.62 23.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.604 -0.725 . . . . 7.46 111.011 -177.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -94.77 -20.72 19.26 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.789 -0.819 . . . . 10.73 108.789 172.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -88.45 135.2 33.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.043 -0.98 . . . . 11.5 109.483 175.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.655 -1.081 . . . . 12.029999999999999 111.629 -176.612 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 50.3 m . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 120.917 0.389 . . . . 3.75 110.202 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -118.69 160.1 22.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.152 -0.477 . . . . 3.3399999999999999 110.477 -177.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -132.15 176.26 8.54 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.536 -0.542 . . . . 1.99 109.536 175.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.525 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 26.3 m-90 -126.35 148.53 49.55 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.755 0.312 . . . . 1.1699999999999999 111.155 -172.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.8 m -89.73 103.89 16.5 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.663 -0.866 . . . . 1.1299999999999999 108.663 176.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.537 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 34.9 mt -117.87 118.13 31.18 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.867 -0.606 . . . . 0.75 111.03 -171.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -95.62 98.59 10.61 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.739 -0.837 . . . . 2.1200000000000001 108.739 171.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.454 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 41.8 mm -101.13 120.13 56.01 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.108 -0.496 . . . . 0.91000000000000003 111.154 -173.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.498 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 49.1 Cg_exo -58.89 157.99 26.57 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 123.694 2.929 . . . . 0.34999999999999998 113.546 -179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.574 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -116.72 32.01 6.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.334 -0.848 . . . . 0.42999999999999999 109.599 178.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -99.62 -148.08 0.35 Allowed 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.637 -1.165 . . . . 1.6100000000000001 108.815 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.1 m -52.37 130.34 30.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.998 0.427 . . . . 1.3 110.632 174.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 45.3 tpp -50.37 -31.68 15.38 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.248 -0.887 . . . . 1.29 111.262 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.64 -40.55 65.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.311 -0.859 . . . . 2.2599999999999998 110.532 178.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.2 m -75.49 -41.8 54.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.117 -0.492 . . . . 1.2 110.318 -176.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.498 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.49 -45.32 93.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.789 -0.641 . . . . 0.38 111.357 -179.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.0 mt -65.29 -47.41 76.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.356 -0.384 . . . . 0.92000000000000004 110.956 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -61.88 -39.64 92.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.306 -0.406 . . . . 2.1899999999999999 110.363 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.87 -37.62 88.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.31 110.955 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' CD1' HD13 ' A' ' 6' ' ' LEU . 64.5 tp -67.21 -42.15 84.58 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.595 0.712 . . . . 1.03 110.09 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.405 ' HB2' HD13 ' A' ' 28' ' ' LEU . . . -62.83 -52.81 61.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.556 -1.202 . . . . 0.44 110.346 -178.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -61.19 -41.34 96.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.374 -0.83 . . . . 3.4100000000000001 111.63 -176.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -76.41 -10.32 59.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.335 0.495 . . . . 1.52 112.335 -174.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 27.6 p -115.72 1.53 13.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.335 0.588 . . . . 0.76000000000000001 110.27 173.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.0 t0 51.48 43.09 29.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 114.623 -1.171 . . . . 2.1099999999999999 111.051 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.7 p -104.38 173.72 6.18 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.579 -0.737 . . . . 0.76000000000000001 109.886 178.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -110.15 114.97 28.9 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.542 -0.54 . . . . 2.3900000000000001 109.542 177.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.424 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 7.8 mp -109.5 122.46 47.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.108 0.48 . . . . 1.51 110.433 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.3 tt -106.27 117.57 34.38 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.467 -0.788 . . . . 2.0299999999999998 109.463 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.9 p90 -150.29 148.07 28.41 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.787 -0.819 . . . . 0.95999999999999996 108.787 177.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.416 ' HA ' ' HD2' ' A' ' 32' ' ' PRO . 33.3 t -102.63 112.83 65.98 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 116.593 -0.276 . . . . 1.78 110.268 -179.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 31' ' ' SER . 5.5 Cg_endo -47.14 -48.73 14.12 Favored 'Trans proline' 0 C--O 1.237 0.454 0 C-N-CA 123.775 2.983 . . . . 1.3700000000000001 114.034 -169.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -73.17 -21.98 60.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.91 0.385 . . . . 2.96 111.289 -175.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -84.32 -5.3 59.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.133 0.42 . . . . 2.2200000000000002 112.133 -172.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.426 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 26.9 pt -106.56 7.68 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.931 0.396 . . . . 1.0900000000000001 110.555 175.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.06 6.5 32.3 Favored Glycine 0 CA--C 1.52 0.398 0 CA-C-N 115.646 -0.706 . . . . 1.3999999999999999 114.124 173.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.37 47.76 68.53 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.711 -0.757 . . . . 1.05 111.888 -176.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 92.3 mt -82.82 157.73 23.05 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.053 -0.351 . . . . 1.72 110.053 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 39' ' ' ARG . 0.9 OUTLIER -96.37 146.19 24.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.053 0.454 . . . . 3.77 110.755 176.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 p -87.97 157.45 18.92 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.597 -0.729 . . . . 0.56000000000000005 111.395 -178.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.9 m -87.88 126.4 35.01 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.23 -0.656 . . . . 1.54 109.23 174.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.574 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -56.3 101.99 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 O-C-N 123.446 0.466 . . . . 0.83999999999999997 111.659 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 tt -117.9 91.74 3.65 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.881 -0.785 . . . . 1.4199999999999999 108.881 178.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.537 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 25.7 pttm -119.72 122.8 42.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.389 0.614 . . . . 2.4300000000000002 110.612 -179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.45 -162.98 34.22 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 111.052 -0.819 . . . . 0.37 111.052 -176.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.525 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 13.2 ttm180 -105.62 97.64 7.45 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.632 -0.507 . . . . 3.27 109.632 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -137.95 149.33 46.07 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.212 0.53 . . . . 1.98 111.19 -175.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.99 151.67 46.29 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.891 -1.05 . . . . 1.8600000000000001 111.032 175.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.71 -58.91 6.29 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.631 0.253 . . . . 1.1799999999999999 111.344 -175.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -61.26 -37.54 83.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.318 -0.401 . . . . 2.3900000000000001 110.705 -177.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.4 t -60.94 -46.68 89.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.167 -0.47 . . . . 1.3300000000000001 109.849 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.8 m -61.16 -43.67 98.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 1.21 110.675 178.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.29 -36.66 75.97 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.119 -0.492 . . . . 0.69999999999999996 110.924 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.436 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 97.3 mtt180 -69.23 -51.57 36.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.218 -0.447 . . . . 3.3799999999999999 111.081 179.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.2 mm -70.17 -43.22 79.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 N-CA-C 111.942 0.349 . . . . 1.24 111.942 -175.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tt -63.17 -53.45 53.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.66 -0.246 . . . . 1.6299999999999999 110.946 -175.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.4 mp -71.23 -27.23 63.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.585 -0.279 . . . . 2.1699999999999999 111.409 -176.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 53.4 tt0 -49.13 104.1 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 123.062 0.545 . . . . 2.2999999999999998 111.67 178.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 117.55 -16.97 12.42 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.992 -0.623 . . . . 1.4199999999999999 112.898 176.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.0 p -94.04 -10.67 32.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.727 0.299 . . . . 1.25 111.799 -177.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.12 12.74 82.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.508 -0.854 . . . . 1.3500000000000001 113.079 -177.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 83.9 mt -96.39 150.92 20.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 117.287 0.543 . . . . 1.28 110.227 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.495 ' HD3' ' OG ' ' A' ' 76' ' ' SER . 8.0 mpt_? -119.35 135.13 54.87 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.392 -0.367 . . . . 4.21 110.423 179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 23.6 p90 -100.08 147.45 25.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.063 -0.517 . . . . 1.3700000000000001 110.511 -179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.788 HE21 ' HA ' ' A' ' 65' ' ' GLN . 0.0 OUTLIER -128.39 111.37 13.25 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.338 -0.616 . . . . 2.6400000000000001 109.338 177.198 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.9 tt -103.3 101.52 12.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.674 0.749 . . . . 1.28 110.554 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -119.05 105.49 11.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.347 -0.842 . . . . 2.29 109.665 -178.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.73 -108.07 1.82 Allowed Glycine 0 CA--C 1.518 0.237 0 C-N-CA 121.033 -0.603 . . . . 1.3 112.357 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -112.61 8.8 19.25 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.275 0.56 . . . . 2.3500000000000001 110.174 177.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.7 m -111.17 129.21 56.02 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.626 -0.715 . . . . 0.96999999999999997 110.649 -176.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.562 ' HA ' ' O ' ' A' ' 65' ' ' GLN . 25.2 t -121.57 123.26 69.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.698 -0.683 . . . . 0.68000000000000005 109.649 -177.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.525 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 31.4 m -106.05 125.53 51.1 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 116.519 -0.31 . . . . 0.80000000000000004 110.349 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 41.1 t -100.45 95.32 3.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.544 -0.539 . . . . 1.01 109.544 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.0 t -106.33 148.53 27.92 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.802 -0.635 . . . . 1.8700000000000001 110.768 -176.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.32 108.52 19.9 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.213 -0.449 . . . . 1.72 110.594 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.495 ' OG ' ' HD3' ' A' ' 63' ' ' ARG . 12.3 p -81.2 -29.8 34.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.326 0.584 . . . . 2.8100000000000001 110.47 177.4 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.06 83.86 5.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.689 -0.687 . . . . 4.6200000000000001 110.671 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -81.98 66.59 7.62 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.14 -0.482 . . . . 5.9900000000000002 109.882 177.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 56.62 -151.5 0.41 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.513 -0.767 . . . . 7.46 110.339 -176.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -113.79 -62.04 1.65 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.469 -0.567 . . . . 10.73 109.469 174.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.23 58.78 4.4 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.776 0.672 . . . . 11.5 110.825 175.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.023 -1.432 . . . . 12.029999999999999 110.873 -178.781 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.0 m . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 120.883 0.373 . . . . 3.75 110.618 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -151.17 143.59 24.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.347 -0.388 . . . . 3.3399999999999999 110.371 -177.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -105.29 156.7 17.89 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.805 -0.443 . . . . 1.99 109.805 177.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.521 ' HZ3' ' H ' ' A' ' 49' ' ' LEU . 22.2 m-90 -130.45 157.68 41.96 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 116.221 -0.445 . . . . 1.1699999999999999 109.88 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.8 p -89.01 97.62 11.3 Favored 'General case' 0 N--CA 1.438 -1.027 0 N-CA-C 108.354 -0.98 . . . . 1.1299999999999999 108.354 171.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.675 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 78.3 mt -111.0 111.48 22.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.485 -0.78 . . . . 0.75 110.887 -170.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.625 ' HA ' ' CB ' ' A' ' 44' ' ' LYS . 22.1 m-20 -95.07 100.66 12.45 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.355 -0.609 . . . . 2.1200000000000001 109.355 174.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.434 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 47.0 mm -101.7 118.47 59.56 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-N 115.94 -0.573 . . . . 0.91000000000000003 110.443 -177.339 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.6 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 35.9 Cg_exo -60.45 149.64 85.28 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 123.4 2.733 . . . . 0.34999999999999998 113.047 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -98.11 29.38 3.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.52 -0.764 . . . . 0.42999999999999999 109.862 176.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -97.32 -157.6 0.6 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.874 -1.057 . . . . 1.6100000000000001 108.87 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 50.3 m -55.35 143.57 28.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.993 0.425 . . . . 1.3 110.594 175.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 42.1 tpp -50.61 -29.81 11.83 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.432 -0.804 . . . . 1.29 111.17 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -54.87 -38.79 67.96 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.028 -0.533 . . . . 2.2599999999999998 111.054 177.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.7 t -79.01 -43.66 23.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.113 0.482 . . . . 1.2 109.749 -176.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.6 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -60.59 -48.53 81.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.56 -0.745 . . . . 0.38 111.748 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.8 mt -60.71 -48.02 83.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.402 -0.363 . . . . 0.92000000000000004 111.417 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -65.55 -34.75 78.98 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.183 -0.207 . . . . 2.1899999999999999 111.521 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.19 92.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.941 0.4 . . . . 0.31 110.498 176.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 53.0 tp -66.83 -39.5 87.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.052 -0.522 . . . . 1.03 110.422 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.527 ' HB2' HD13 ' A' ' 28' ' ' LEU . . . -62.61 -46.07 89.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.424 -0.807 . . . . 0.44 110.249 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -62.68 -40.64 97.73 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.183 -0.917 . . . . 3.4100000000000001 111.311 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.407 HE21 ' HB2' ' A' ' 23' ' ' GLN . 20.2 mt-30 -80.07 -20.88 44.14 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.114 0.783 . . . . 1.52 113.114 -172.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.0 p -118.42 7.1 11.84 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.471 -0.491 . . . . 0.76000000000000001 112.165 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 18.5 t70 51.59 46.85 25.88 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 115.577 -0.738 . . . . 2.1099999999999999 111.046 -178.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 p -113.39 161.68 17.0 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.955 -0.566 . . . . 0.76000000000000001 111.207 -177.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -105.34 124.3 49.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.551 -0.537 . . . . 2.3900000000000001 109.551 176.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.597 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 10.3 mp -115.15 124.19 50.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.359 0.599 . . . . 1.51 110.752 -177.099 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.8 mt -107.23 116.25 31.6 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.25 -0.886 . . . . 2.0299999999999998 109.097 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -148.16 144.72 27.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.955 0.407 . . . . 0.95999999999999996 111.053 -175.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.564 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 7.3 m -104.69 118.66 55.88 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-N 115.826 -0.625 . . . . 1.78 109.56 176.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.09 -35.98 83.52 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.392 2.728 . . . . 1.3700000000000001 112.981 -178.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.8 -28.82 62.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.33 0.586 . . . . 2.96 110.559 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.564 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 28.4 t70 -92.21 -1.63 57.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.511 -0.768 . . . . 2.2200000000000002 110.597 -168.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.442 HG13 ' H ' ' A' ' 37' ' ' GLY . 35.0 pt -109.07 -8.48 11.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.971 -0.559 . . . . 1.0900000000000001 110.321 176.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 73.74 10.72 80.39 Favored Glycine 0 CA--C 1.519 0.34 0 CA-C-N 116.042 -0.526 . . . . 1.3999999999999999 114.156 173.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.442 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 62.17 39.45 97.68 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.973 -0.632 . . . . 1.05 112.537 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.3 mt -79.27 159.79 27.11 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.63 0.253 . . . . 1.72 110.688 -177.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -108.72 148.17 30.86 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.984 0.421 . . . . 3.77 110.159 176.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.3 p -90.35 159.9 16.38 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.726 -0.67 . . . . 0.56000000000000005 110.466 178.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 t -89.29 147.12 24.28 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 108.773 -0.825 . . . . 1.54 108.773 173.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -54.98 101.86 0.05 Allowed 'General case' 0 C--O 1.233 0.186 0 O-C-N 123.507 0.504 . . . . 0.83999999999999997 111.568 -176.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.0 tp -122.56 82.91 2.04 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.29 -0.633 . . . . 1.4199999999999999 109.29 179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.675 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 17.7 pttp -130.69 111.24 12.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.772 0.796 . . . . 2.4300000000000002 110.982 -176.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.74 -159.47 30.92 Favored Glycine 0 N--CA 1.448 -0.556 0 CA-C-N 114.908 -1.042 . . . . 0.37 110.686 -170.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 46' ' ' ARG . 26.2 mtp180 -85.42 106.39 16.74 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.686 -0.857 . . . . 3.27 108.686 176.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -135.29 143.3 46.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.011 0.434 . . . . 1.98 110.841 -174.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -80.09 146.61 31.8 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.379 -0.828 . . . . 1.8600000000000001 109.464 172.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.521 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 62.5 tp -58.04 -57.53 12.42 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.645 0.259 . . . . 1.1799999999999999 111.117 -173.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -58.69 -41.05 85.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.921 -0.581 . . . . 2.3900000000000001 110.609 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.425 ' O ' HG13 ' A' ' 55' ' ' ILE . 22.4 m -61.87 -43.79 98.14 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.723 -0.671 . . . . 1.3300000000000001 111.165 179.345 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.8 m -59.81 -43.58 94.42 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 120.848 0.356 . . . . 1.21 110.716 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.5 mt -63.92 -42.56 97.36 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.796 -0.638 . . . . 0.69999999999999996 110.506 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.411 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 51.6 ttp180 -64.1 -47.17 81.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.904 -0.589 . . . . 3.3799999999999999 110.987 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 51' ' ' SER . 81.4 mt -61.07 -57.01 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.595 0.236 . . . . 1.24 111.28 179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.2 mt -62.44 -46.95 86.19 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.325 0.491 . . . . 1.6299999999999999 112.325 -176.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.424 HD22 ' HB3' ' A' ' 64' ' ' TYR . 7.1 mp -99.11 17.78 18.99 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.279 0.474 . . . . 2.1699999999999999 112.279 -174.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 36.3 tt0 -52.39 -59.49 4.36 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.933 0.397 . . . . 2.2999999999999998 111.894 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -119.66 34.0 4.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.399 -0.905 . . . . 1.4199999999999999 112.792 -175.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.6 p -89.81 -4.71 57.49 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.792 0.296 . . . . 1.25 111.724 179.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.36 6.05 86.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.764 -0.731 . . . . 1.3500000000000001 112.338 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 74.7 mt -102.11 165.87 10.92 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.901 -0.407 . . . . 1.28 109.901 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -110.02 125.78 53.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.29 -0.414 . . . . 4.21 110.267 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.424 ' HB3' HD22 ' A' ' 57' ' ' LEU . 12.3 p90 -100.09 116.17 31.49 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.156 -0.683 . . . . 1.3700000000000001 109.156 170.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.599 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 28.8 tt0 -113.35 111.22 21.63 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.537 -0.756 . . . . 2.6400000000000001 110.567 -177.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.2 tt -108.72 128.03 64.78 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-O 121.102 0.477 . . . . 1.28 110.447 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -143.57 116.44 8.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.836 -0.62 . . . . 2.29 109.389 177.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 63.87 -108.96 2.48 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.9 -0.666 . . . . 1.3 111.508 -174.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -123.31 19.15 9.81 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.434 0.635 . . . . 2.3500000000000001 109.654 175.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.1 m -109.8 132.97 53.67 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.23 -0.895 . . . . 0.96999999999999997 110.006 179.27 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.597 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 22.8 t -118.6 129.0 75.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.88 -0.6 . . . . 0.68000000000000005 109.729 -179.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.599 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 6.3 m -114.66 123.89 50.45 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 109.859 -0.423 . . . . 0.80000000000000004 109.859 178.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.6 t -112.53 102.12 13.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.063 0.459 . . . . 1.01 110.118 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.3 t -136.87 150.05 48.03 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.861 -0.608 . . . . 1.8700000000000001 110.216 -177.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.37 157.93 34.67 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.021 0.439 . . . . 1.72 110.949 178.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 49.0 m -69.38 -28.89 66.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.723 -0.671 . . . . 2.8100000000000001 110.833 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 47.53 72.94 0.22 Allowed 'General case' 0 N--CA 1.465 0.305 0 O-C-N 124.058 0.849 . . . . 4.6200000000000001 111.898 174.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.06 -38.64 43.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.231 -0.441 . . . . 5.9900000000000002 110.432 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 80' ' ' LYS . . . -148.08 139.19 23.33 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.171 -0.468 . . . . 7.46 110.519 179.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' ' 79' ' ' ALA . 44.2 mtpt 72.09 144.1 0.06 Allowed 'General case' 0 N--CA 1.467 0.392 0 O-C-N 124.06 0.85 . . . . 10.73 112.206 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -92.28 80.11 5.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.506 -0.77 . . . . 11.5 109.101 173.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.925 0 CA-C-O 119.035 -0.87 . . . . 12.029999999999999 111.306 -175.918 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 N--CA 1.478 0.951 0 CA-C-O 120.827 0.346 . . . . 3.75 110.181 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -71.9 87.99 1.03 Allowed 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.744 -0.836 . . . . 3.3399999999999999 108.744 171.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -111.39 162.73 14.74 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.757 -0.656 . . . . 1.99 110.349 -172.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.548 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 26.3 m-90 -134.82 158.59 43.81 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.925 -0.58 . . . . 1.1699999999999999 109.681 -177.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.6 m -100.69 98.2 8.77 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 107.989 -1.115 . . . . 1.1299999999999999 107.989 174.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.576 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 78.5 mt -97.4 127.05 43.04 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.956 -0.565 . . . . 0.75 111.713 -168.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.546 ' HA ' ' HD3' ' A' ' 44' ' ' LYS . 50.7 t0 -98.5 97.53 8.84 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.74 -0.837 . . . . 2.1200000000000001 108.74 173.409 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.497 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 44.9 mm -103.61 124.26 38.57 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.156 -0.474 . . . . 0.91000000000000003 110.593 -176.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.666 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 35.4 Cg_exo -62.24 155.76 54.79 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 123.344 2.696 . . . . 0.34999999999999998 112.721 -178.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -108.74 19.85 19.19 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.589 0.709 . . . . 0.42999999999999999 109.93 -179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.422 HE21 ' HB3' ' A' ' 9' ' ' PRO . 19.5 pt20 -98.8 -157.79 0.63 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.085 -0.962 . . . . 1.6100000000000001 109.327 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.5 t -49.7 132.43 21.78 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.819 0.342 . . . . 1.3 110.389 178.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.463 ' HG2' ' HG ' ' A' ' 17' ' ' LEU . 51.6 ttm -53.58 -22.77 9.13 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.572 -0.74 . . . . 1.29 111.271 -179.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -50.47 -48.71 56.56 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 115.7 -0.682 . . . . 2.2599999999999998 110.69 172.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.0 m -75.67 -36.15 60.19 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.942 0.401 . . . . 1.2 110.558 -178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.666 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.7 -53.47 53.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.904 -0.589 . . . . 0.38 112.387 -178.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.463 ' HG ' ' HG2' ' A' ' 13' ' ' MET . 91.1 mt -64.17 -41.82 96.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.756 0.312 . . . . 0.92000000000000004 110.971 -176.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -64.46 -34.26 77.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.395 -0.366 . . . . 2.1899999999999999 110.866 177.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.04 -43.53 82.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.444 -0.344 . . . . 0.31 110.841 175.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.9 tp -64.66 -40.29 95.17 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 1.03 110.65 -177.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.788 ' HB2' HD23 ' A' ' 28' ' ' LEU . . . -62.47 -52.58 62.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.279 -0.873 . . . . 0.44 110.411 -177.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -64.44 -30.38 71.42 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.36 -0.836 . . . . 3.4100000000000001 111.73 -176.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -79.61 -22.67 43.36 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.085 0.402 . . . . 1.52 112.085 -176.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.0 p -116.98 10.48 14.02 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.937 -0.305 . . . . 0.76000000000000001 111.589 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 56.67 35.74 26.61 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.739 -0.664 . . . . 2.1099999999999999 110.967 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.433 ' OG1' ' HA ' ' A' ' 21' ' ' ALA . 18.2 p -105.84 177.9 4.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.136 0.493 . . . . 0.76000000000000001 111.66 -175.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -123.56 126.02 45.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.499 -0.773 . . . . 2.3900000000000001 109.898 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.788 HD23 ' HB2' ' A' ' 21' ' ' ALA . 3.4 mm? -105.95 120.55 42.06 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.747 0.308 . . . . 1.51 110.572 179.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 85.3 mt -108.2 110.29 21.88 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.536 -0.542 . . . . 2.0299999999999998 109.536 175.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.8 p90 -156.27 163.42 39.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.319 -0.401 . . . . 0.95999999999999996 110.318 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.433 ' HB2' ' OD2' ' A' ' 34' ' ' ASP . 14.0 m -121.23 140.96 32.08 Favored Pre-proline 0 C--N 1.32 -0.708 0 N-CA-C 109.368 -0.604 . . . . 1.78 109.368 175.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.488 ' HA ' HG12 ' A' ' 35' ' ' ILE . 31.6 Cg_exo -59.5 -22.24 65.51 Favored 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.956 2.437 . . . . 1.3700000000000001 112.475 -177.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -73.89 -14.52 61.08 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.987 -0.551 . . . . 2.96 111.461 178.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.433 ' OD2' ' HB2' ' A' ' 31' ' ' SER . 38.3 m-20 -91.81 -16.4 26.84 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.107 0.48 . . . . 2.2200000000000002 109.713 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.739 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 26.8 pt -107.18 -11.78 10.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.776 -0.647 . . . . 1.0900000000000001 110.805 -173.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 66.3 5.73 29.86 Favored Glycine 0 CA--C 1.52 0.384 0 CA-C-N 116.24 -0.436 . . . . 1.3999999999999999 113.937 173.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.667 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 66.56 35.92 90.66 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.932 -0.651 . . . . 1.05 112.473 -178.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.739 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 2.6 pp -103.4 170.18 8.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.026 0.441 . . . . 1.72 110.722 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -93.7 139.2 31.09 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.841 -0.618 . . . . 3.77 110.581 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.4 p -88.04 168.25 12.98 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.238 -0.892 . . . . 0.56000000000000005 110.953 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.7 m -86.72 129.33 34.91 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.884 -0.598 . . . . 1.54 109.632 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -57.08 103.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.8 -0.636 . . . . 0.83999999999999997 111.222 -177.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.55 84.22 2.15 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.161 -0.681 . . . . 1.4199999999999999 109.161 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.576 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 19.9 ttpt -114.67 103.87 11.42 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.85 -0.614 . . . . 2.4300000000000002 110.288 179.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -167.29 -163.51 21.29 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 115.292 -0.867 . . . . 0.37 111.123 -177.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.548 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 39.9 ttm180 -124.18 103.94 8.55 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 120.912 0.387 . . . . 3.27 110.396 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -141.14 171.51 13.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.789 -0.641 . . . . 1.98 109.591 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -70.05 170.12 12.05 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.945 -0.391 . . . . 1.8600000000000001 109.945 172.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 53' ' ' LEU . 60.7 tp -59.25 -58.09 10.18 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.778 0.323 . . . . 1.1799999999999999 110.719 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -62.1 -35.48 78.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.911 -0.586 . . . . 2.3900000000000001 110.928 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.465 ' O ' HG12 ' A' ' 55' ' ' ILE . 44.8 t -62.14 -51.78 66.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.859 -0.61 . . . . 1.3300000000000001 110.427 178.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.0 m -60.96 -41.44 96.35 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.182 -0.463 . . . . 1.21 111.105 -178.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 49' ' ' LEU . 97.0 mt -57.77 -46.05 85.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.09 -0.505 . . . . 0.69999999999999996 111.471 -179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -67.08 -47.36 71.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.308 -0.406 . . . . 3.3799999999999999 111.08 -175.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 51' ' ' SER . 45.8 mm -60.49 -30.07 45.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.283 -0.417 . . . . 1.24 111.358 -176.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.408 ' HB3' HD12 ' A' ' 57' ' ' LEU . 4.9 tt -84.5 -62.92 1.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.297 -0.41 . . . . 1.6299999999999999 111.331 -177.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.461 HD22 ' HB3' ' A' ' 64' ' ' TYR . 8.5 mp -70.47 -29.97 66.66 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 112.878 0.695 . . . . 2.1699999999999999 112.878 -169.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -49.72 -46.31 50.08 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.956 0.408 . . . . 2.2999999999999998 111.387 177.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.77 -27.54 73.35 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.89 -0.671 . . . . 1.4199999999999999 112.798 -176.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.9 p -92.89 17.75 10.11 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.309 0.485 . . . . 1.25 112.309 -178.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.72 40.98 95.6 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 121.328 -0.463 . . . . 1.3500000000000001 113.933 174.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.5 mt -127.82 164.22 22.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.996 0.398 . . . . 1.28 110.217 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.7 ttt180 -113.23 127.34 56.14 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 110.015 -0.365 . . . . 4.21 110.015 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.461 ' HB3' HD22 ' A' ' 57' ' ' LEU . 17.7 p90 -100.6 120.15 39.61 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.172 0.511 . . . . 1.3700000000000001 110.374 178.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.423 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 33.7 tt0 -103.91 110.46 22.6 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.803 -0.443 . . . . 2.6400000000000001 109.803 171.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.9 tt -100.56 123.7 53.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.1 -0.5 . . . . 1.28 110.426 -177.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -136.85 105.52 5.84 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.608 -0.516 . . . . 2.29 109.608 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.26 -109.97 3.15 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.988 -0.625 . . . . 1.3 112.255 -174.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -112.91 7.76 18.38 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.186 0.517 . . . . 2.3500000000000001 109.663 178.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 84.2 m -107.48 130.82 54.8 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.462 -0.79 . . . . 0.96999999999999997 110.429 -177.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.543 ' HB ' HD13 ' A' ' 28' ' ' LEU . 40.0 t -117.89 125.3 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.152 -0.477 . . . . 0.68000000000000005 109.732 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.423 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 19.3 m -108.34 116.8 32.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.322 -0.399 . . . . 0.80000000000000004 110.212 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 60.4 t -88.21 115.69 28.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.178 -0.465 . . . . 1.01 110.089 179.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.1 m -108.56 135.95 48.97 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.913 -0.585 . . . . 1.8700000000000001 110.142 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.5 128.03 34.37 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 120.837 0.351 . . . . 1.72 110.226 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.3 m -63.16 131.43 48.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.666 -0.697 . . . . 2.8100000000000001 111.557 -177.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -179.93 24.92 0.0 OUTLIER 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.882 0.739 . . . . 4.6200000000000001 110.662 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.43 2.36 20.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.085 0.402 . . . . 5.9900000000000002 112.085 -176.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 62.68 20.22 11.91 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.101 0.476 . . . . 7.46 111.459 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.526 ' NZ ' ' HB2' ' A' ' 80' ' ' LYS . 0.0 OUTLIER -170.57 54.39 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.041 -1.096 . . . . 10.73 108.041 177.279 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -86.08 110.06 19.26 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.877 -1.056 . . . . 11.5 110.958 -168.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.857 0 CA-C-O 118.786 -1.008 . . . . 12.029999999999999 111.809 176.918 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 N--CA 1.48 1.03 0 N-CA-C 110.073 -0.343 . . . . 3.75 110.073 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -59.41 115.82 3.52 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.018 0.437 . . . . 3.3399999999999999 109.836 176.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.506 ' HB3' ' HG2' ' A' ' 46' ' ' ARG . 40.7 mt-10 -100.22 152.44 20.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.851 -0.613 . . . . 1.99 110.098 -178.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.481 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 20.5 m-90 -127.94 153.52 46.6 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.787 -0.642 . . . . 1.1699999999999999 109.613 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.5 m -91.06 97.67 11.31 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.293 -1.003 . . . . 1.1299999999999999 108.293 174.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.518 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 89.2 mt -95.42 107.73 19.89 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.883 -0.599 . . . . 0.75 110.881 -173.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -93.25 97.71 10.8 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.653 -0.869 . . . . 2.1200000000000001 108.653 173.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.418 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 44.6 mm -107.51 119.45 50.6 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.492 -0.776 . . . . 0.91000000000000003 110.502 -175.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.596 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 31.4 Cg_exo -60.9 145.38 99.13 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 123.093 2.528 . . . . 0.34999999999999998 113.015 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -97.2 27.28 4.22 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.389 -0.823 . . . . 0.42999999999999999 109.953 176.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.7 mt-30 -93.8 -155.21 0.44 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.98 -1.009 . . . . 1.6100000000000001 109.047 -179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.8 m -53.2 137.75 33.5 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.079 0.466 . . . . 1.3 110.353 175.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.446 ' HB3' HD12 ' A' ' 35' ' ' ILE . 58.5 tpp -47.96 -31.56 5.42 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.073 -0.967 . . . . 1.29 111.924 -178.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -56.67 -41.65 77.62 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.965 -0.561 . . . . 2.2599999999999998 111.864 177.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 5.3 m -72.03 -40.91 68.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.99 0.424 . . . . 1.2 110.156 -176.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.596 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.75 -50.79 69.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.652 -0.703 . . . . 0.38 111.784 -179.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.16 -39.88 86.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.471 -0.331 . . . . 0.92000000000000004 111.118 -176.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -62.98 -36.59 84.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.175 0.512 . . . . 2.1899999999999999 110.468 176.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.0 -40.85 91.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.811 -0.631 . . . . 0.31 110.514 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.573 HD23 HD21 ' A' ' 28' ' ' LEU . 59.6 tp -66.1 -38.89 89.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.221 0.534 . . . . 1.03 110.014 -179.27 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.61 -48.12 82.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.354 -0.839 . . . . 0.44 110.387 -177.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -66.11 -46.27 78.19 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.88 -1.054 . . . . 3.4100000000000001 111.47 177.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -62.84 -42.16 99.63 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 113.19 0.811 . . . . 1.52 113.19 -173.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.8 p -109.93 8.96 24.48 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.428 -0.509 . . . . 0.76000000000000001 112.334 -174.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.6 t70 54.28 59.29 4.28 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 121.817 0.818 . . . . 2.1099999999999999 110.532 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.12 159.82 39.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.912 -0.585 . . . . 0.76000000000000001 109.881 -178.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -106.36 125.72 51.35 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.874 -0.417 . . . . 2.3900000000000001 109.874 -179.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.75 ' HG ' ' HB ' ' A' ' 71' ' ' VAL . 8.7 mp -116.19 123.64 48.29 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.29 -0.414 . . . . 1.51 110.332 -177.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.422 ' HA ' HD13 ' A' ' 29' ' ' LEU . 3.9 mm? -108.59 119.33 39.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.044 -0.526 . . . . 2.0299999999999998 110.057 179.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.577 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 49.9 p90 -151.67 151.86 32.03 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.078 -0.51 . . . . 0.95999999999999996 110.186 179.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.585 ' HB2' ' HB2' ' A' ' 34' ' ' ASP . 4.1 m -96.69 118.84 64.77 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.026 -0.534 . . . . 1.78 109.654 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 31' ' ' SER . 32.4 Cg_exo -58.97 -28.83 88.88 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 123.036 2.49 . . . . 1.3700000000000001 112.69 -176.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -75.75 -23.54 56.0 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.871 -0.604 . . . . 2.96 111.132 177.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.585 ' HB2' ' HB2' ' A' ' 31' ' ' SER . 3.4 m-20 -98.53 -0.18 43.81 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 111.74 0.274 . . . . 2.2200000000000002 111.74 -172.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.527 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 34.3 pt -98.78 6.47 9.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.873 -0.417 . . . . 1.0900000000000001 109.873 178.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 63.23 8.02 21.8 Favored Glycine 0 C--N 1.331 0.265 0 CA-C-N 115.478 -0.783 . . . . 1.3999999999999999 114.438 172.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.99 36.01 71.67 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 121.088 -0.577 . . . . 1.05 112.344 -177.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.527 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 4.1 pp -97.47 166.09 11.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.53 0.205 . . . . 1.72 110.621 -175.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -89.91 142.49 27.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.178 0.513 . . . . 3.77 110.22 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.4 p -83.38 160.66 21.57 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.46 -0.791 . . . . 0.56000000000000005 111.923 -174.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.2 t -89.5 103.44 16.08 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.373 -0.973 . . . . 1.54 108.373 175.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.539 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -55.82 118.76 4.88 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.554 -0.748 . . . . 0.83999999999999997 112.333 -173.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 43' ' ' LEU . 0.6 OUTLIER -104.53 84.74 2.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.941 -1.133 . . . . 1.4199999999999999 107.941 173.331 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 59.6 tttp -108.49 102.62 11.69 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.186 -0.916 . . . . 2.4300000000000002 110.282 -173.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.92 -163.76 34.9 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.562 -0.828 . . . . 0.37 112.422 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.506 ' HG2' ' HB3' ' A' ' 3' ' ' GLU . 20.1 ttp180 -107.93 99.56 9.01 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.547 -0.538 . . . . 3.27 109.547 -178.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -139.29 168.21 20.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.868 0.366 . . . . 1.98 111.012 -178.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.54 169.55 17.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.46 -0.791 . . . . 1.8600000000000001 109.251 171.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.4 tp -60.14 -58.7 7.4 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.768 0.318 . . . . 1.1799999999999999 110.876 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -64.99 -30.98 72.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.275 -0.42 . . . . 2.3900000000000001 112.029 -177.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.1 t -60.85 -50.81 71.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.247 0.546 . . . . 1.3300000000000001 109.912 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 m -61.89 -45.24 94.62 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.505 -0.771 . . . . 1.21 110.825 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.556 HD13 HD11 ' A' ' 66' ' ' ILE . 13.4 mt -55.88 -48.68 75.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.083 -0.508 . . . . 0.69999999999999996 111.844 179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -60.53 -49.03 79.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.399 -0.364 . . . . 3.3799999999999999 111.409 -177.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 58.5 mt -72.83 -34.45 46.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.754 0.312 . . . . 1.24 111.459 -174.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.3 tt -71.12 -49.68 41.6 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.516 -0.311 . . . . 1.6299999999999999 110.696 -177.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.893 ' HG ' ' HB3' ' A' ' 64' ' ' TYR . 4.5 mm? -77.02 -36.89 55.89 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.188 0.44 . . . . 2.1699999999999999 112.188 -173.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -50.0 110.09 0.36 Allowed 'General case' 0 C--O 1.236 0.362 0 O-C-N 123.219 0.324 . . . . 2.2999999999999998 111.616 179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.64 65.73 1.49 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.986 -0.626 . . . . 1.4199999999999999 112.234 178.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 33.8 p -144.43 -33.59 0.39 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.005 0.431 . . . . 1.25 110.898 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 112.14 -15.8 25.38 Favored Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 110.685 -0.966 . . . . 1.3500000000000001 110.685 -173.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 79.6 mt -108.44 154.46 21.85 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 110.067 -0.345 . . . . 1.28 110.067 179.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.6 ttp180 -118.63 137.35 53.34 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.881 -0.414 . . . . 4.21 109.881 -178.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.893 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 16.9 p90 -100.18 118.26 36.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.353 0.597 . . . . 1.3700000000000001 110.929 -178.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.54 ' HB2' ' HB ' ' A' ' 72' ' ' THR . 16.5 mm100 -108.82 134.14 51.92 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.687 -0.688 . . . . 2.6400000000000001 109.983 173.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.556 HD11 HD13 ' A' ' 53' ' ' LEU . 57.5 mt -108.23 106.71 21.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.174 0.512 . . . . 1.28 109.753 177.23 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -114.41 105.39 13.06 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.281 -0.637 . . . . 2.29 109.281 -178.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.79 -110.91 3.77 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 121.061 -0.59 . . . . 1.3 112.161 -174.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -114.03 23.77 12.64 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.79 0.805 . . . . 2.3500000000000001 109.053 175.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.0 m -118.81 137.52 53.34 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.952 -1.022 . . . . 0.96999999999999997 110.497 -173.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.75 ' HB ' ' HG ' ' A' ' 28' ' ' LEU . 34.3 t -108.46 117.53 54.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.089 -0.708 . . . . 0.68000000000000005 109.089 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.54 ' HB ' ' HB2' ' A' ' 65' ' ' GLN . 19.2 m -104.45 113.1 26.44 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.8 0.333 . . . . 0.80000000000000004 110.139 -177.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.577 ' HB ' ' HB3' ' A' ' 30' ' ' TYR . 39.9 t -95.39 98.12 7.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.843 -0.617 . . . . 1.01 109.414 178.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 8.8 t -114.16 146.92 39.68 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.712 -0.676 . . . . 1.8700000000000001 109.898 -176.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.418 ' HB3' ' HB2' ' A' ' 78' ' ' ALA . . . -67.23 134.51 51.8 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.615 -0.266 . . . . 1.72 110.786 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.0 m -64.3 107.88 1.45 Allowed 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 109.474 -0.565 . . . . 2.8100000000000001 109.474 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 62.33 57.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.423 -0.808 . . . . 4.6200000000000001 109.917 -173.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' A' ' 75' ' ' ALA . . . -57.59 -61.02 2.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.471 -0.786 . . . . 5.9900000000000002 110.97 179.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 52.1 60.29 3.93 Favored 'General case' 0 C--O 1.232 0.171 0 O-C-N 123.595 0.56 . . . . 7.46 111.412 178.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -89.06 95.59 10.38 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.337 -0.392 . . . . 10.73 110.64 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 60.58 -93.18 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.394 -0.821 . . . . 11.5 111.506 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.254 -1.303 . . . . 12.029999999999999 111.229 -178.039 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 51.0 m . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.731 0.3 . . . . 3.75 111.202 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.8 tp60 -99.72 81.29 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.108 0.48 . . . . 3.3399999999999999 110.61 -176.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -119.96 152.48 37.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.976 0.417 . . . . 1.99 111.068 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.629 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 23.6 m-90 -126.35 153.51 44.8 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.595 -0.73 . . . . 1.1699999999999999 109.593 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.0 m -89.62 99.16 12.22 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.43 -0.582 . . . . 1.1299999999999999 109.43 177.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.629 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 26.6 mt -106.09 110.08 22.22 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.674 -0.694 . . . . 0.75 110.963 -172.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -93.53 98.58 11.27 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.246 -0.65 . . . . 2.1200000000000001 109.246 172.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.469 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 40.8 mm -100.38 123.01 47.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 120.813 0.339 . . . . 0.91000000000000003 111.237 -176.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.767 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 34.4 Cg_exo -64.35 162.16 31.55 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.599 2.866 . . . . 0.34999999999999998 113.443 178.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -113.15 31.58 6.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.781 0.8 . . . . 0.42999999999999999 109.794 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -103.41 -151.89 0.44 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.709 -1.132 . . . . 1.6100000000000001 109.717 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 m -54.38 132.48 44.24 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.043 -0.526 . . . . 1.3 110.213 173.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 41.1 tpp -48.46 -32.13 7.33 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 114.907 -1.042 . . . . 1.29 111.516 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -53.46 -42.64 67.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.773 -0.648 . . . . 2.2599999999999998 111.226 177.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.4 m -74.38 -41.54 60.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.937 0.399 . . . . 1.2 110.43 -176.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.767 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -62.12 -44.84 95.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.898 -0.592 . . . . 0.38 111.38 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.6 mt -66.89 -46.99 73.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.258 -0.428 . . . . 0.92000000000000004 111.279 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -61.63 -35.78 78.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.862 0.363 . . . . 2.1899999999999999 110.573 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.91 -41.97 90.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.44 . . . . 0.31 110.676 176.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.611 HD21 HD11 ' A' ' 53' ' ' LEU . 47.0 tp -64.58 -38.05 89.67 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.339 0.59 . . . . 1.03 109.673 -179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.77 -42.04 99.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.754 -1.112 . . . . 0.44 109.96 179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 35.2 ttpt -61.12 -40.96 95.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.599 -0.728 . . . . 3.4100000000000001 111.089 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.45 -35.08 78.16 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.082 -0.508 . . . . 1.52 112.313 -177.321 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.472 HG21 HD13 ' A' ' 49' ' ' LEU . 12.6 p -117.08 3.93 12.73 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.666 0.617 . . . . 0.76000000000000001 112.666 -173.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 55.38 37.55 29.05 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.333 0.587 . . . . 2.1099999999999999 110.995 -175.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.0 p -98.92 157.11 16.53 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.665 -0.698 . . . . 0.76000000000000001 111.101 -176.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -103.59 120.74 41.49 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.72 -0.673 . . . . 2.3900000000000001 109.762 176.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.551 ' CD2' ' HB ' ' A' ' 71' ' ' VAL . 63.4 mt -104.61 121.04 42.7 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.088 -0.506 . . . . 1.51 109.753 -177.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -97.25 109.14 21.95 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 109.321 -0.622 . . . . 2.0299999999999998 109.321 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.57 ' HB3' ' HB ' ' A' ' 73' ' ' VAL . 32.1 p90 -163.63 163.36 24.42 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.413 -0.812 . . . . 0.95999999999999996 109.201 -177.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.449 ' HB2' ' OD2' ' A' ' 34' ' ' ASP . 48.7 m -126.43 116.28 23.16 Favored Pre-proline 0 C--N 1.316 -0.879 0 CA-C-O 120.907 0.384 . . . . 1.78 110.462 178.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 31' ' ' SER . 31.7 Cg_exo -59.83 -18.94 51.97 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 123.218 2.612 . . . . 1.3700000000000001 112.298 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -71.41 -37.09 71.54 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.792 -0.64 . . . . 2.96 109.958 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.449 ' OD2' ' HB2' ' A' ' 31' ' ' SER . 83.2 m-20 -72.12 -18.22 61.92 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.65 -0.704 . . . . 2.2200000000000002 112.056 -177.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.61 HG13 ' H ' ' A' ' 37' ' ' GLY . 36.9 pt -99.35 -10.66 8.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.739 -0.384 . . . . 1.0900000000000001 111.137 -176.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.96 16.26 61.55 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 121.176 -0.535 . . . . 1.3999999999999999 113.337 176.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.61 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 79.11 65.52 1.8 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.723 -0.751 . . . . 1.05 112.613 -179.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 95.9 mt -86.04 154.3 21.52 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 110.04 -0.356 . . . . 1.72 110.04 176.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -96.7 142.0 29.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.89 0.376 . . . . 3.77 110.037 173.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.6 p -89.12 155.1 19.65 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 115.856 -0.611 . . . . 0.56000000000000005 111.229 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.6 t -88.63 131.3 35.04 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.082 -0.71 . . . . 1.54 109.082 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.29 100.73 0.07 Allowed 'General case' 0 C--O 1.236 0.354 0 O-C-N 123.649 0.593 . . . . 0.83999999999999997 111.722 -177.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.3 mt -118.09 84.26 2.14 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.844 -0.616 . . . . 1.4199999999999999 109.759 175.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.629 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 45.2 pttt -116.62 116.32 27.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.553 0.692 . . . . 2.4300000000000002 111.197 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.82 -163.0 33.94 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 114.896 -1.047 . . . . 0.37 111.054 -176.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.629 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 9.8 ptm180 -120.41 113.02 19.72 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.967 0.383 . . . . 3.27 110.596 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -155.31 -179.88 8.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.719 0.295 . . . . 1.98 111.148 177.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -67.58 144.56 55.53 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.436 -0.802 . . . . 1.8600000000000001 111.031 178.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.472 HD13 HG21 ' A' ' 24' ' ' THR . 44.1 tp -60.33 -60.12 4.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.596 0.236 . . . . 1.1799999999999999 110.888 -176.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.734 ' HG3' ' HE2' ' A' ' 64' ' ' TYR . 9.6 tt0 -57.76 -34.69 69.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.205 0.526 . . . . 2.3900000000000001 110.581 -177.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 6.7 t -64.38 -46.1 84.82 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.38 -0.827 . . . . 1.3300000000000001 111.268 178.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.9 p -62.5 -48.2 80.62 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 111.406 0.15 . . . . 1.21 111.406 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.611 HD11 HD21 ' A' ' 20' ' ' LEU . 6.3 mp -59.57 -30.6 68.76 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.627 0.251 . . . . 0.69999999999999996 111.277 176.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.556 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 57.8 ttp180 -61.75 -35.99 79.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.516 -0.311 . . . . 3.3799999999999999 110.339 178.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 63.1 mt -74.18 -50.11 29.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.994 0.426 . . . . 1.24 110.665 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.6 tt -65.96 -51.23 60.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.703 -0.68 . . . . 1.6299999999999999 111.265 -173.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.493 ' HA ' ' OG1' ' A' ' 60' ' ' THR . 10.2 mp -72.93 -26.97 61.58 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 121.011 -0.276 . . . . 2.1699999999999999 111.439 -175.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.556 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 9.0 tt0 -45.1 -49.97 11.41 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.352 0.408 . . . . 2.2999999999999998 111.811 172.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.56 -20.71 73.87 Favored Glycine 0 CA--C 1.517 0.205 0 C-N-CA 120.812 -0.708 . . . . 1.4199999999999999 113.031 -175.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.493 ' OG1' ' HA ' ' A' ' 57' ' ' LEU . 12.2 p -99.56 5.27 46.05 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.665 0.269 . . . . 1.25 111.718 -176.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.34 26.96 59.94 Favored Glycine 0 C--N 1.335 0.519 0 C-N-CA 121.375 -0.44 . . . . 1.3500000000000001 113.355 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.87 161.88 13.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.082 0.468 . . . . 1.28 110.974 -176.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -121.35 149.62 42.68 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.741 -0.663 . . . . 4.21 109.969 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.734 ' HE2' ' HG3' ' A' ' 50' ' ' GLN . 9.2 p90 -131.35 125.37 32.52 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.283 0.563 . . . . 1.3700000000000001 110.809 -178.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.506 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 12.8 mt-30 -104.45 119.24 38.53 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.334 -0.848 . . . . 2.6400000000000001 109.185 175.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.406 HG12 HG22 ' A' ' 71' ' ' VAL . 18.5 mt -111.28 120.9 62.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.273 0.559 . . . . 1.28 111.013 -177.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -134.6 103.47 5.68 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.386 -0.824 . . . . 2.29 109.476 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.27 -101.68 0.85 Allowed Glycine 0 C--N 1.328 0.119 0 C-N-CA 121.06 -0.591 . . . . 1.3 112.065 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 20.4 p-10 -122.5 18.43 10.48 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.062 -0.718 . . . . 2.3500000000000001 109.062 174.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.8 m -110.0 118.98 37.86 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.253 -0.885 . . . . 0.96999999999999997 109.775 -176.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.551 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 23.9 t -122.46 129.3 75.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.982 0.42 . . . . 0.68000000000000005 110.321 -177.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.439 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 8.7 m -106.91 113.68 27.31 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.344 -0.389 . . . . 0.80000000000000004 110.428 -179.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.57 ' HB ' ' HB3' ' A' ' 30' ' ' TYR . 38.4 t -92.93 94.63 4.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.356 -0.609 . . . . 1.01 109.356 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 9.8 t -113.24 146.57 39.1 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.781 -0.645 . . . . 1.8700000000000001 110.616 -174.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.18 140.88 31.43 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.164 -0.471 . . . . 1.72 110.164 178.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.3 m -71.74 94.16 1.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.068 0.461 . . . . 2.8100000000000001 110.313 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -146.32 58.05 1.2 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.993 -0.549 . . . . 4.6200000000000001 110.341 -177.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -58.71 136.1 57.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.577 -0.738 . . . . 5.9900000000000002 110.607 178.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.42 131.37 46.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.211 -0.449 . . . . 7.46 110.333 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -62.0 142.61 57.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.267 -0.424 . . . . 10.73 110.687 -177.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -142.85 88.25 2.04 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.178 -0.675 . . . . 11.5 109.178 177.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.891 0 CA-C-O 118.922 -0.932 . . . . 12.029999999999999 111.315 -177.567 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 71.2 m . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 120.998 0.428 . . . . 3.75 110.772 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -90.98 60.64 4.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.667 0.746 . . . . 3.3399999999999999 109.826 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -100.7 154.92 18.21 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 114.998 -1.001 . . . . 1.99 108.765 177.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.568 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 15.2 m-90 -134.56 160.94 36.48 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 116.501 -0.318 . . . . 1.1699999999999999 110.365 -175.266 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.4 m -94.82 97.98 10.42 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.012 -1.107 . . . . 1.1299999999999999 108.012 172.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.727 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 83.7 mt -104.42 117.57 34.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.719 -0.673 . . . . 0.75 111.072 -171.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -98.17 107.3 19.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.223 -0.444 . . . . 2.1200000000000001 110.273 175.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.507 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 1.7 mp -101.88 125.75 36.01 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.249 -0.432 . . . . 0.91000000000000003 110.091 178.305 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.945 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 29.9 Cg_exo -64.88 161.25 37.25 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.687 2.925 . . . . 0.34999999999999998 113.759 -178.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.44 33.64 3.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.308 -0.86 . . . . 0.42999999999999999 109.714 176.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.422 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 65.8 mt-30 -96.4 -164.99 1.21 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.146 -0.934 . . . . 1.6100000000000001 108.81 177.481 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.5 m -55.98 144.42 28.65 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.558 -0.534 . . . . 1.3 109.558 169.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.46 ' HB3' HD12 ' A' ' 35' ' ' ILE . 52.2 tpp -49.78 -23.53 1.88 Allowed 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 123.643 0.777 . . . . 1.29 111.626 -179.05 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -55.19 -47.37 75.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.94 -0.573 . . . . 2.2599999999999998 110.783 175.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.4 m -76.56 -36.92 57.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.572 -0.285 . . . . 1.2 110.556 -175.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.945 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -57.33 -52.27 66.03 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.243 -0.435 . . . . 0.38 111.336 177.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.9 mt -70.34 -32.87 70.78 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.418 -0.355 . . . . 0.92000000000000004 110.72 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -62.29 -48.72 78.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.484 . . . . 2.1899999999999999 110.385 176.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.513 ' O ' ' HB2' ' A' ' 23' ' ' GLN . . . -65.52 -34.31 77.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.865 -0.607 . . . . 0.31 110.476 179.041 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.3 tp -66.62 -41.53 88.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.97 0.414 . . . . 1.03 110.173 178.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.68 -46.95 85.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.543 -0.753 . . . . 0.44 110.155 -175.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.792 ' HE2' ' HA ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -65.9 -25.67 67.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.852 -1.067 . . . . 3.4100000000000001 110.896 178.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.513 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 6.7 tt0 -93.53 -25.42 17.59 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.74 0.644 . . . . 1.52 112.74 -168.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 24.1 p -117.2 -0.51 12.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.76000000000000001 111.612 178.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.3 t70 58.01 44.16 19.96 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.457 -0.792 . . . . 2.1099999999999999 110.447 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.04 167.52 10.9 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.96 -0.564 . . . . 0.76000000000000001 109.825 -178.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -98.17 117.32 32.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.915 0.388 . . . . 2.3900000000000001 109.964 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.55 HD13 ' HB ' ' A' ' 71' ' ' VAL . 4.4 mm? -108.19 114.9 29.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.85 -0.614 . . . . 1.51 110.678 -177.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -106.4 113.31 26.76 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 2.0299999999999998 109.521 179.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -141.95 143.06 33.05 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.202 -0.454 . . . . 0.95999999999999996 110.42 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.664 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 14.5 m -102.04 114.97 65.33 Favored Pre-proline 0 C--N 1.315 -0.908 0 CA-C-N 115.764 -0.653 . . . . 1.78 109.958 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -56.95 -41.23 77.52 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 123.604 2.869 . . . . 1.3700000000000001 113.333 -174.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.491 ' OE2' ' HB3' ' A' ' 31' ' ' SER . 0.0 OUTLIER -78.29 -22.82 47.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.544 -0.298 . . . . 2.96 111.183 -179.84 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.664 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 33.0 t70 -83.99 -26.41 29.2 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.829 0.347 . . . . 2.2200000000000002 110.671 -177.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.507 HG13 ' H ' ' A' ' 37' ' ' GLY . 27.3 pt -96.84 -3.23 10.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.368 -0.378 . . . . 1.0900000000000001 110.468 178.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 67.3 5.09 33.31 Favored Glycine 0 C--N 1.332 0.309 0 CA-C-N 115.854 -0.612 . . . . 1.3999999999999999 113.761 174.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.507 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 62.27 36.62 93.3 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.048 -0.596 . . . . 1.05 112.436 -178.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.5 pp -73.91 157.35 36.44 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.909 -0.404 . . . . 1.72 109.909 -178.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.61 ' HD2' ' H ' ' A' ' 39' ' ' ARG . 0.0 OUTLIER -86.54 139.22 31.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.227 0.536 . . . . 3.77 110.598 -178.75 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 p -89.34 155.51 19.31 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.529 -0.76 . . . . 0.56000000000000005 111.269 -177.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.7 m -89.55 130.8 35.81 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.575 -0.898 . . . . 1.54 108.575 174.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.21 112.87 0.88 Allowed 'General case' 0 C--O 1.236 0.351 0 O-C-N 123.633 0.583 . . . . 0.83999999999999997 111.973 -173.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.45 ' O ' ' HB ' ' A' ' 8' ' ' ILE . 1.7 tm? -109.68 92.43 4.05 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.853 -1.166 . . . . 1.4199999999999999 107.853 174.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.727 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 9.9 ptmt -136.53 118.56 15.35 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.6 0.714 . . . . 2.4300000000000002 111.978 -176.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.47 -163.83 35.33 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 114.969 -1.014 . . . . 0.37 110.771 179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.568 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 20.2 ttt180 -99.29 96.41 7.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 117.162 0.481 . . . . 3.27 109.815 178.66 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -137.78 160.54 38.97 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.973 -0.558 . . . . 1.98 109.674 -177.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -83.62 168.13 16.63 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.535 -0.543 . . . . 1.8600000000000001 109.535 173.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.53 -52.95 63.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 123.127 0.267 . . . . 1.1799999999999999 111.405 -175.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -57.24 -49.29 76.52 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.254 -0.43 . . . . 2.3900000000000001 111.497 -177.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.428 ' O ' HG12 ' A' ' 55' ' ' ILE . 68.1 m -61.2 -44.2 97.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.437 -0.347 . . . . 1.3300000000000001 111.365 -179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.9 m -60.1 -43.55 95.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.713 0.292 . . . . 1.21 110.95 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.98 -43.13 99.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.69999999999999996 110.917 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -67.47 -48.36 67.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.975 -0.557 . . . . 3.3799999999999999 111.535 -177.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 51' ' ' SER . 47.1 mm -67.41 -25.77 34.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-O 120.967 0.413 . . . . 1.24 110.831 -178.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.593 ' HB3' HD12 ' A' ' 57' ' ' LEU . 2.7 tt -74.72 -55.2 6.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.465 -0.334 . . . . 1.6299999999999999 110.226 178.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.593 HD12 ' HB3' ' A' ' 56' ' ' LEU . 6.7 mp -95.98 25.52 4.71 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.692 -0.231 . . . . 2.1699999999999999 111.296 -177.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -50.15 -57.62 7.33 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.029 -0.532 . . . . 2.2999999999999998 112.147 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -129.63 32.19 3.24 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.278 -0.963 . . . . 1.4199999999999999 112.775 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 17.9 p -91.82 2.05 56.77 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.242 0.46 . . . . 1.25 112.242 -179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.81 23.78 72.62 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 120.871 -0.681 . . . . 1.3500000000000001 112.925 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.474 ' HB2' HD23 ' A' ' 57' ' ' LEU . 88.4 mt -114.4 161.74 17.55 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.703 -0.48 . . . . 1.28 109.703 179.314 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.983 ' HB2' ' HB3' ' A' ' 76' ' ' SER . 11.6 tpp180 -111.05 124.32 51.94 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.809 0.338 . . . . 4.21 110.367 -179.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.434 ' HB3' HD22 ' A' ' 57' ' ' LEU . 41.0 p90 -103.59 117.03 33.48 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.887 -0.597 . . . . 1.3700000000000001 109.854 172.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 36.0 tt0 -106.98 111.68 24.29 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.841 -0.618 . . . . 2.6400000000000001 109.739 177.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.8 tt -110.8 109.84 29.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.4 0.619 . . . . 1.28 110.317 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -129.52 102.08 6.23 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.614 -0.721 . . . . 2.29 109.686 -178.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.37 -110.52 3.51 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.753 -0.737 . . . . 1.3 111.785 -176.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -109.35 9.28 25.72 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.062 0.458 . . . . 2.3500000000000001 110.537 178.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 59.6 m -105.54 121.06 43.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.837 -0.62 . . . . 0.96999999999999997 110.778 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.55 ' HB ' HD13 ' A' ' 28' ' ' LEU . 44.6 t -120.23 120.32 62.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 109.437 -0.579 . . . . 0.68000000000000005 109.437 176.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.0 m -114.14 126.28 54.9 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.77 0.319 . . . . 0.80000000000000004 110.758 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.484 HG13 HD21 ' A' ' 57' ' ' LEU . 84.6 t -116.1 108.2 24.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 1.01 110.593 -179.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.0 t -141.14 161.43 37.88 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.819 -0.628 . . . . 1.8700000000000001 109.973 -178.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.77 125.68 25.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.737 0.303 . . . . 1.72 110.926 178.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.983 ' HB3' ' HB2' ' A' ' 63' ' ' ARG . 12.2 p -85.39 82.01 8.5 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.097 0.475 . . . . 2.8100000000000001 111.554 -177.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -116.52 39.8 3.06 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.775 -0.648 . . . . 4.6200000000000001 109.696 175.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -73.47 113.87 11.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.601 -0.727 . . . . 5.9900000000000002 111.626 -174.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -113.88 105.14 12.91 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.793 -0.64 . . . . 7.46 109.309 177.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.55 19.05 2.2 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.098 0.475 . . . . 10.73 110.999 -175.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -147.3 14.68 1.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.753 0.787 . . . . 11.5 109.357 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.56 -1.134 . . . . 12.029999999999999 111.28 -174.344 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.558 ' HA ' ' OD1' ' A' ' 48' ' ' ASP . 20.3 m . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 120.974 0.416 . . . . 3.75 111.61 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -81.06 98.5 8.01 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.994 -1.113 . . . . 3.3399999999999999 107.994 168.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.453 ' HB3' ' HG2' ' A' ' 46' ' ' ARG . 45.3 mt-10 -108.48 168.08 9.58 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.454 -0.794 . . . . 1.99 111.51 -167.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.588 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 18.6 m-90 -140.0 163.43 32.72 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.949 -1.023 . . . . 1.1699999999999999 108.788 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.6 m -96.01 98.78 10.64 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.248 -1.019 . . . . 1.1299999999999999 108.248 174.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.5 mt -87.74 157.11 19.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.436 -0.802 . . . . 0.75 111.297 -172.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -138.15 98.07 3.54 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.371 -0.831 . . . . 2.1200000000000001 108.796 177.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.7 HD11 HD13 ' A' ' 20' ' ' LEU . 69.0 mt -117.71 118.0 35.36 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 116.007 -0.542 . . . . 0.91000000000000003 110.849 -175.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.807 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 42.8 Cg_exo -59.13 165.4 8.83 Favored 'Trans proline' 0 CA--C 1.529 0.226 0 C-N-CA 123.763 2.975 . . . . 0.34999999999999998 113.914 -178.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.594 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -119.06 41.45 3.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.067 -0.97 . . . . 0.42999999999999999 109.156 177.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -114.75 -151.02 0.47 Allowed 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.32 -1.309 . . . . 1.6100000000000001 108.777 176.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.4 p -53.15 132.6 38.65 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.675 0.75 . . . . 1.3 111.305 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.428 ' HB3' HD12 ' A' ' 35' ' ' ILE . 5.5 tpt -47.01 -29.74 2.25 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 114.056 -1.429 . . . . 1.29 111.722 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -53.39 -47.74 69.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.371 -0.832 . . . . 2.2599999999999998 111.455 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 6.0 m -76.67 -41.94 43.67 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.775 0.321 . . . . 1.2 110.704 -174.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.807 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -58.4 -51.0 71.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.844 -0.616 . . . . 0.38 111.918 -177.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.5 mt -67.02 -39.92 87.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.467 -0.333 . . . . 0.92000000000000004 110.494 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -62.38 -37.42 85.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.22 -0.445 . . . . 2.1899999999999999 110.404 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.2 -41.06 86.44 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.926 -0.579 . . . . 0.31 110.764 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.7 HD13 HD11 ' A' ' 8' ' ' ILE . 62.6 tp -64.66 -31.35 72.53 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 121.081 0.467 . . . . 1.03 110.133 -179.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.45 -53.8 51.72 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.223 -0.899 . . . . 0.44 110.942 -177.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -64.48 -40.54 95.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 3.4100000000000001 111.778 179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -66.6 -24.34 66.31 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 112.551 0.575 . . . . 1.52 112.551 -173.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.2 p -111.78 -10.65 14.02 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.963 0.411 . . . . 0.76000000000000001 111.176 177.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 20.8 t70 62.12 36.81 14.97 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.346 -0.843 . . . . 2.1099999999999999 110.254 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.614 HG21 HD11 ' A' ' 49' ' ' LEU . 39.8 p -104.16 173.36 6.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.304 -0.862 . . . . 0.76000000000000001 110.479 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.563 ' O ' ' HA ' ' A' ' 70' ' ' THR . 28.1 tt0 -108.55 119.41 39.45 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.368 -0.604 . . . . 2.3900000000000001 109.368 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.471 ' CD2' ' HB ' ' A' ' 71' ' ' VAL . 45.5 mt -107.43 133.93 51.22 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.567 -0.453 . . . . 1.51 110.879 -175.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -112.94 109.88 19.59 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.708 -0.678 . . . . 2.0299999999999998 109.247 179.846 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.8 p90 -152.03 144.35 24.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.113 -0.494 . . . . 0.95999999999999996 110.013 178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.2 t -109.84 115.27 55.56 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.301 -0.409 . . . . 1.78 110.387 -177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -53.61 -37.26 83.18 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 123.843 3.028 . . . . 1.3700000000000001 113.618 -177.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -69.63 -41.33 75.78 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.994 0.426 . . . . 2.96 110.778 179.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -81.72 -5.29 57.99 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.848 -0.615 . . . . 2.2200000000000002 111.901 -170.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.623 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 35.9 pt -99.55 -8.71 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 C-N-CA 120.799 -0.36 . . . . 1.0900000000000001 110.88 177.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 65.66 20.84 68.54 Favored Glycine 0 CA--C 1.518 0.233 0 C-N-CA 121.187 -0.53 . . . . 1.3999999999999999 113.036 178.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.543 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 61.92 55.89 25.69 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.904 -0.665 . . . . 1.05 112.616 -178.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 87.4 mt -66.97 163.9 18.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.771 0.32 . . . . 1.72 110.96 177.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 -115.12 138.96 50.31 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.971 -0.751 . . . . 3.77 108.971 169.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.9 p -88.85 156.74 18.75 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.783 -0.644 . . . . 0.56000000000000005 111.604 -175.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.8 m -89.71 122.11 32.51 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 108.355 -0.98 . . . . 1.54 108.355 170.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.594 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -56.05 110.77 0.8 Allowed 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.541 0.525 . . . . 0.83999999999999997 111.67 -173.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -111.66 90.64 3.39 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.722 -0.844 . . . . 1.4199999999999999 108.722 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -124.78 104.5 8.67 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.624 0.726 . . . . 2.4300000000000002 110.25 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -178.99 -165.83 33.99 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.32 -0.854 . . . . 0.37 111.043 -176.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.588 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 14.3 ttt180 -107.09 111.55 24.06 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 117.056 0.428 . . . . 3.27 110.6 -178.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . 0.429 ' HA ' ' OE2' ' A' ' 3' ' ' GLU . 42.2 m-70 -154.64 173.02 16.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.662 -0.244 . . . . 1.98 110.506 176.053 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.558 ' OD1' ' HA ' ' A' ' 1' ' ' SER . 8.8 m-20 -72.78 168.78 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.979 -0.555 . . . . 1.8600000000000001 110.822 177.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.614 HD11 HG21 ' A' ' 26' ' ' THR . 8.8 tt -61.1 -59.69 4.94 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.433 -0.349 . . . . 1.1799999999999999 110.178 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -65.24 -30.4 71.28 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.43 -0.35 . . . . 2.3900000000000001 111.551 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.462 ' OG ' ' HB2' ' A' ' 48' ' ' ASP . 50.4 m -63.68 -45.25 90.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.691 0.281 . . . . 1.3300000000000001 110.659 177.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.2 t -59.81 -46.94 87.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 1.21 110.063 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.6 mt -58.23 -39.85 80.17 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 115.846 -0.616 . . . . 0.69999999999999996 111.161 179.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -64.22 -46.83 82.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.384 -0.371 . . . . 3.3799999999999999 111.221 -178.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.7 mt -70.97 -31.34 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.085 0.469 . . . . 1.24 110.737 -178.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 56' ' ' LEU . 5.3 tt -76.41 -33.65 58.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.11 -0.496 . . . . 1.6299999999999999 109.75 178.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.547 HD22 ' HD1' ' A' ' 64' ' ' TYR . 14.6 tp -64.26 -44.85 90.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.095 -0.502 . . . . 2.1699999999999999 110.669 -179.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -46.73 109.72 0.22 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.64 -0.709 . . . . 2.2999999999999998 111.402 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 113.47 -20.9 17.87 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.918 -0.658 . . . . 1.4199999999999999 113.095 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 71.5 p -94.17 -10.85 31.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 117.213 0.507 . . . . 1.25 112.243 -175.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 59.46 17.29 39.45 Favored Glycine 0 CA--C 1.521 0.454 0 C-N-CA 121.325 -0.464 . . . . 1.3500000000000001 113.958 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 96.7 mt -102.62 176.46 5.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 117.073 0.436 . . . . 1.28 110.858 -176.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -126.05 133.07 51.82 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.837 -0.431 . . . . 4.21 109.837 177.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.547 ' HD1' HD22 ' A' ' 57' ' ' LEU . 45.9 p90 -100.42 118.66 37.09 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.827 -0.749 . . . . 1.3700000000000001 110.987 178.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -102.48 112.41 25.12 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.089 -0.959 . . . . 2.6400000000000001 109.65 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.1 tt -104.61 114.28 43.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.445 0.64 . . . . 1.28 110.368 -178.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -128.4 112.76 14.75 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.539 -0.755 . . . . 2.29 109.939 -177.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.48 -112.17 4.6 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.995 -0.621 . . . . 1.3 111.802 -176.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -115.42 15.53 16.78 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.642 -0.873 . . . . 2.3500000000000001 108.642 175.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.563 ' HA ' ' O ' ' A' ' 27' ' ' GLN . 35.0 m -110.38 134.45 52.29 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.224 -0.898 . . . . 0.96999999999999997 110.303 -177.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.471 ' HB ' ' CD2' ' A' ' 28' ' ' LEU . 18.1 t -119.77 117.48 53.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.17 -0.678 . . . . 0.68000000000000005 109.17 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 36.4 m -106.8 119.99 40.8 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.282 -0.417 . . . . 0.80000000000000004 110.343 -175.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 34.5 t -88.9 100.21 10.33 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.073 -0.714 . . . . 1.01 109.073 177.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 12.9 t -115.41 161.41 18.59 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.943 0.401 . . . . 1.8700000000000001 110.484 -172.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.4 162.21 28.57 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.015 -0.539 . . . . 1.72 110.353 178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 65.7 m -77.2 53.29 0.98 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.831 0.348 . . . . 2.8100000000000001 111.758 -177.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.45 -32.14 68.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.313 0.578 . . . . 4.6200000000000001 109.484 174.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.69 62.78 0.67 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.265 -0.88 . . . . 5.9900000000000002 109.487 173.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -81.23 59.72 4.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.373 0.606 . . . . 7.46 110.859 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -145.26 72.28 1.32 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.517 -0.765 . . . . 10.73 109.06 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -87.47 8.69 23.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.828 -0.624 . . . . 11.5 110.668 -177.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.098 0 CA-C-O 117.716 -1.602 . . . . 12.029999999999999 110.297 177.683 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.9 m . . . . . 0 N--CA 1.475 0.808 0 CA-C-O 120.733 0.301 . . . . 3.75 110.495 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -131.26 145.73 52.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.354 -0.385 . . . . 3.3399999999999999 110.376 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -108.22 157.21 18.53 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.426 -0.583 . . . . 1.99 109.426 175.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.479 ' HZ3' ' H ' ' A' ' 49' ' ' LEU . 22.7 m-90 -125.71 145.71 50.06 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.187 0.518 . . . . 1.1699999999999999 110.62 -175.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.2 m -95.62 99.14 11.04 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 108.51 -0.922 . . . . 1.1299999999999999 108.51 178.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.549 ' O ' ' HA ' ' A' ' 44' ' ' LYS . 68.9 mt -100.7 121.53 41.8 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.562 -0.744 . . . . 0.75 111.349 -170.332 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -92.37 98.06 11.25 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.416 -0.586 . . . . 2.1200000000000001 109.416 173.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.42 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 47.9 mm -103.81 119.75 53.53 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 116.242 -0.435 . . . . 0.91000000000000003 110.281 -178.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.87 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 18.4 Cg_exo -68.97 147.68 68.48 Favored 'Trans proline' 0 C--O 1.233 0.259 0 C-N-CA 123.201 2.601 . . . . 0.34999999999999998 113.434 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.595 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -96.85 26.59 4.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.386 -0.824 . . . . 0.42999999999999999 109.963 176.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.482 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 15.3 mt-30 -95.77 -156.6 0.53 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.776 -1.102 . . . . 1.6100000000000001 108.677 177.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.4 t -51.79 131.43 30.56 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.822 -0.436 . . . . 1.3 109.822 171.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 51.7 ttm -51.61 -26.97 9.9 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.391 -0.822 . . . . 1.29 111.801 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.494 ' O ' ' HG3' ' A' ' 18' ' ' GLN . 8.8 t30 -55.41 -38.94 69.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.415 -0.357 . . . . 2.2599999999999998 110.558 175.58 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.5 t -71.43 -42.15 68.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.576 -0.527 . . . . 1.2 109.576 -179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.87 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -61.46 -41.85 97.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.418 -0.81 . . . . 0.38 111.537 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 95.1 mt -69.79 -40.13 76.19 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.305 -0.407 . . . . 0.92000000000000004 111.083 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.494 ' HG3' ' O ' ' A' ' 14' ' ' ASN . 24.4 mt-30 -59.13 -41.6 88.63 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.221 0.534 . . . . 2.1899999999999999 110.228 174.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.38 -42.74 87.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.609 -0.723 . . . . 0.31 110.84 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.35 -47.96 74.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.818 0.342 . . . . 1.03 110.988 -176.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.49 98.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.798 -0.637 . . . . 0.44 110.269 -175.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.484 ' HE2' ' HB3' ' A' ' 22' ' ' LYS . 31.4 ttpt -60.09 -41.31 92.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.75 -1.114 . . . . 3.4100000000000001 111.39 178.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.405 HE21 ' HB2' ' A' ' 23' ' ' GLN . 18.9 mt-30 -77.49 -33.51 54.45 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.01 0.745 . . . . 1.52 113.01 -171.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.8 p -111.24 3.01 18.05 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.729 0.64 . . . . 0.76000000000000001 112.729 -175.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 56.36 38.27 29.58 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 115.953 -0.567 . . . . 2.1099999999999999 111.092 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 7.2 p -107.17 158.24 17.25 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.238 -0.437 . . . . 0.76000000000000001 111.176 -176.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -97.18 123.91 41.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.123 -0.489 . . . . 2.3900000000000001 109.903 178.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.545 HD23 ' HB ' ' A' ' 71' ' ' VAL . 86.8 mt -108.02 116.26 31.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.347 -0.388 . . . . 1.51 110.032 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -103.04 109.8 21.48 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.866 -0.79 . . . . 2.0299999999999998 108.866 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 43.9 p90 -156.84 158.88 37.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.821 -0.627 . . . . 0.95999999999999996 109.936 -177.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.2 p -103.76 111.57 65.19 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 116.119 -0.491 . . . . 1.78 110.26 175.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.74 -26.92 75.62 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.119 2.546 . . . . 1.3700000000000001 113.268 -176.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.1 pm0 -70.24 -18.18 63.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.664 0.269 . . . . 2.96 111.098 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -85.27 -10.18 56.8 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.892 0.331 . . . . 2.2200000000000002 111.892 -176.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.465 HG13 ' H ' ' A' ' 37' ' ' GLY . 37.7 pt -103.69 -28.29 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.63 -0.428 . . . . 1.0900000000000001 110.598 174.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 64.97 11.27 50.53 Favored Glycine 0 C--N 1.335 0.488 0 CA-C-N 116.039 -0.528 . . . . 1.3999999999999999 113.428 174.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.465 ' H ' HG13 ' A' ' 35' ' ' ILE . . . 82.31 47.43 6.08 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.948 -0.644 . . . . 1.05 112.419 -178.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' A' ' 38' ' ' LEU . 2.2 pp -87.81 154.67 20.36 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.75 -0.463 . . . . 1.72 109.75 176.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.482 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 25.3 ptt-85 -83.21 126.67 32.89 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.391 0.615 . . . . 3.77 111.108 -175.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 p -86.34 161.05 18.91 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.448 -0.796 . . . . 0.56000000000000005 110.45 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.0 m -90.57 114.15 26.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.176 -0.465 . . . . 1.54 109.767 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.595 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -58.15 112.17 1.44 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.862 -0.608 . . . . 0.83999999999999997 112.068 -175.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.7 tp -109.96 83.31 1.73 Allowed 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.265 -0.643 . . . . 1.4199999999999999 109.265 174.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.549 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 1.3 tmtp? -101.36 116.02 31.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.891 -0.595 . . . . 2.4300000000000002 109.614 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.13 -163.7 35.4 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.531 -0.842 . . . . 0.37 112.392 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.4 ttt180 -97.48 104.68 16.72 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.67 -0.493 . . . . 3.27 109.67 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -138.29 144.37 40.42 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.23 -0.441 . . . . 1.98 110.891 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -73.75 161.71 29.93 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.896 -0.779 . . . . 1.8600000000000001 108.896 169.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.479 ' H ' ' HZ3' ' A' ' 4' ' ' TRP . 43.5 tp -55.55 -51.02 68.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 117.838 0.29 . . . . 1.1799999999999999 110.852 -175.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -60.0 -38.47 82.69 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.239 -0.437 . . . . 2.3900000000000001 111.187 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.4 t -62.75 -51.89 65.36 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.876 -0.602 . . . . 1.3300000000000001 110.43 179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.6 t -61.79 -49.7 75.28 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.727 -0.67 . . . . 1.21 111.205 -176.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.01 -38.64 83.25 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 112.186 0.439 . . . . 0.69999999999999996 112.186 -174.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.413 ' O ' ' HG3' ' A' ' 58' ' ' GLN . 59.4 ttt180 -72.17 -47.59 49.67 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.82 -0.352 . . . . 3.3799999999999999 110.946 -176.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 50.9 mm -65.85 -37.1 79.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 1.24 110.976 -177.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 44.8 tp -71.9 -30.17 65.09 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.036 -0.529 . . . . 1.6299999999999999 111.095 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.91 HD22 ' HD1' ' A' ' 64' ' ' TYR . 13.7 tp -70.82 -44.44 66.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 2.1699999999999999 110.996 -178.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 54' ' ' ARG . 26.9 mt-30 -46.81 106.7 0.09 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.57 -0.741 . . . . 2.2999999999999998 112.148 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 121.91 -20.65 8.09 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.698 -0.763 . . . . 1.4199999999999999 113.045 178.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 73.0 p -91.76 -7.97 48.14 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.43 0.53 . . . . 1.25 112.43 -175.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.16 17.36 61.28 Favored Glycine 0 CA--C 1.521 0.467 0 C-N-CA 120.995 -0.621 . . . . 1.3500000000000001 113.293 -178.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.5 mt -105.78 173.65 6.22 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.752 0.311 . . . . 1.28 110.616 -177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.2 ttt180 -119.47 130.87 55.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.133 -0.485 . . . . 4.21 110.416 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.91 ' HD1' HD22 ' A' ' 57' ' ' LEU . 16.7 p90 -99.89 118.69 36.86 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.304 0.574 . . . . 1.3700000000000001 109.923 175.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.541 ' HB3' ' HB ' ' A' ' 72' ' ' THR . 0.9 OUTLIER -100.17 109.23 21.49 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 109.002 -0.74 . . . . 2.6400000000000001 109.002 174.545 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.8 tt -105.88 113.19 42.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.596 0.712 . . . . 1.28 110.476 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -132.57 100.06 4.84 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.572 -0.74 . . . . 2.29 109.917 -178.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.2 -106.27 1.47 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.916 -0.659 . . . . 1.3 112.465 -177.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -111.13 7.97 21.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.456 0.646 . . . . 2.3500000000000001 109.82 178.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 8.2 m -105.57 120.39 41.51 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.24 -0.891 . . . . 0.96999999999999997 110.563 -176.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.545 ' HB ' HD23 ' A' ' 28' ' ' LEU . 47.6 t -116.27 122.86 70.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.543 -0.54 . . . . 0.68000000000000005 109.543 178.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.541 ' HB ' ' HB3' ' A' ' 65' ' ' GLN . 6.0 m -115.31 127.56 55.52 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 116.554 -0.294 . . . . 0.80000000000000004 110.725 -176.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 46.0 t -98.67 105.4 17.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.694 -0.484 . . . . 1.01 109.694 177.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 28.1 m -110.86 140.8 45.0 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.926 -0.579 . . . . 1.8700000000000001 110.187 -176.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.26 124.98 28.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.712 0.291 . . . . 1.72 110.722 177.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.0 m -81.35 124.97 29.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.832 0.348 . . . . 2.8100000000000001 110.573 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.39 146.91 23.33 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.123 -0.489 . . . . 4.6200000000000001 111.324 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -101.11 158.86 15.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.854 -0.612 . . . . 5.9900000000000002 110.129 176.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 55.32 38.34 30.2 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.441 0.639 . . . . 7.46 110.353 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -90.05 -16.01 30.61 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.566 -0.743 . . . . 10.73 110.545 -177.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -142.26 -32.23 0.51 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.799 -0.637 . . . . 11.5 110.195 -175.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 118.387 -1.23 . . . . 12.029999999999999 111.413 176.772 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.9 m . . . . . 0 N--CA 1.477 0.915 0 CA-C-O 120.784 0.326 . . . . 3.75 110.229 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -78.61 144.88 35.07 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.499 -0.556 . . . . 3.3399999999999999 109.499 176.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -109.35 157.96 18.38 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.168 0.508 . . . . 1.99 111.004 -176.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.445 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 22.3 m-90 -136.97 155.21 50.01 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.365 -0.834 . . . . 1.1699999999999999 109.15 175.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.8 m -95.93 98.34 10.32 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.475 -0.935 . . . . 1.1299999999999999 108.475 177.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 69.9 mt -95.57 118.47 32.34 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.265 -0.88 . . . . 0.75 111.056 -169.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -94.31 98.16 10.72 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.936 -0.764 . . . . 2.1200000000000001 108.936 175.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.467 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 49.5 mm -106.06 128.02 27.2 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.2 -0.455 . . . . 0.91000000000000003 110.841 -175.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.649 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 23.9 Cg_exo -66.7 155.33 70.98 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 123.203 2.602 . . . . 0.34999999999999998 112.694 176.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.21 30.09 5.89 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.66 0.743 . . . . 0.42999999999999999 109.707 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' A' ' 39' ' ' ARG . 17.4 mt-30 -101.15 -162.81 0.97 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.701 -1.136 . . . . 1.6100000000000001 109.681 -177.19 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.6 m -56.84 142.25 41.69 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 120.926 0.393 . . . . 1.3 109.992 174.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 32.4 mtt -47.37 -26.69 1.37 Allowed 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.132 -0.94 . . . . 1.29 112.947 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -52.64 -46.81 67.27 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 123.285 0.365 . . . . 2.2599999999999998 111.193 178.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 9.5 m -79.45 -42.6 25.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 1.2 110.546 -176.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.649 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -60.25 -48.01 83.56 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.845 -0.616 . . . . 0.38 111.828 -177.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 97.4 mt -67.86 -38.33 82.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.802 0.334 . . . . 0.92000000000000004 110.669 -178.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -62.02 -42.92 99.69 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.048 0.451 . . . . 2.1899999999999999 110.588 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.86 -41.22 87.67 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.874 -0.603 . . . . 0.31 111.055 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.1 tp -65.86 -40.04 91.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.908 0.385 . . . . 1.03 110.934 -177.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.14 -54.79 32.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.561 -0.745 . . . . 0.44 110.832 -175.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -66.54 -21.08 66.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.616 -0.72 . . . . 3.4100000000000001 112.087 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -81.16 -24.7 37.39 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 111.684 0.253 . . . . 1.52 111.684 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.6 p -117.77 3.66 12.27 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.714 -0.394 . . . . 0.76000000000000001 111.884 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 58.15 33.8 23.52 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.075 -0.511 . . . . 2.1099999999999999 111.021 -178.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.457 HG21 HD11 ' A' ' 49' ' ' LEU . 32.6 p -104.75 162.4 13.33 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.22 -0.445 . . . . 0.76000000000000001 110.955 -176.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.862 HE21 ' HA ' ' A' ' 27' ' ' GLN . 0.0 OUTLIER -105.66 116.45 31.96 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.574 -0.528 . . . . 2.3900000000000001 109.574 175.712 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.511 HD23 ' HB ' ' A' ' 71' ' ' VAL . 74.9 mt -105.59 114.75 29.1 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.519 -0.548 . . . . 1.51 109.519 -179.017 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.9 tp -103.74 115.15 29.95 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.993 -0.549 . . . . 2.0299999999999998 109.527 -177.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -136.2 170.93 15.23 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.663 -0.699 . . . . 0.95999999999999996 109.681 -177.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.1 m -130.86 134.41 25.96 Favored Pre-proline 0 C--N 1.317 -0.819 0 N-CA-C 110.106 -0.331 . . . . 1.78 110.106 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -48.93 -52.41 8.75 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 123.008 2.472 . . . . 1.3700000000000001 112.747 -174.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.589 ' CD ' ' H ' ' A' ' 33' ' ' GLU . 1.2 pm0 -71.2 -9.67 58.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.025 -0.534 . . . . 2.96 112.161 -178.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.51 -8.88 33.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 2.2200000000000002 110.401 -178.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.7 pt -119.9 -29.27 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 1.0900000000000001 110.737 178.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.81 -1.5 53.47 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 121.21 -0.519 . . . . 1.3999999999999999 113.075 176.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.23 40.77 92.3 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.05 -0.595 . . . . 1.05 112.203 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.6 pp -91.29 162.94 14.41 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.287 -0.264 . . . . 1.72 110.287 -178.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 11' ' ' GLN . 9.3 ptp85 -75.69 120.76 21.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.45 0.643 . . . . 3.77 110.123 179.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.2 p -84.85 165.8 17.41 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.488 -0.778 . . . . 0.56000000000000005 111.614 -174.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.5 m -86.49 95.14 9.61 Favored 'General case' 0 N--CA 1.447 -0.583 0 N-CA-C 109.0 -0.741 . . . . 1.54 109.0 179.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -55.26 127.27 28.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.581 -0.736 . . . . 0.83999999999999997 111.696 -173.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 43' ' ' LEU . 1.2 tm? -102.91 84.79 2.43 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.112 -1.07 . . . . 1.4199999999999999 108.112 175.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 46.6 tttp -99.33 94.65 6.57 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.883 -1.053 . . . . 2.4300000000000002 109.899 -174.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 171.83 -163.7 36.23 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.48 -0.867 . . . . 0.37 112.286 -178.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.445 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 15.1 ttt180 -110.97 113.64 26.35 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.022 -0.362 . . . . 3.27 110.022 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 64.8 m-70 -151.42 168.39 25.0 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.006 0.431 . . . . 1.98 111.558 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.98 152.79 44.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.971 -1.013 . . . . 1.8600000000000001 110.604 175.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.457 HD11 HG21 ' A' ' 26' ' ' THR . 4.3 tt -57.75 -60.49 3.62 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.55 0.214 . . . . 1.1799999999999999 111.009 -173.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -59.82 -37.5 79.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.946 0.403 . . . . 2.3900000000000001 110.699 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.6 m -61.32 -47.79 84.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.731 -0.668 . . . . 1.3300000000000001 110.979 -179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.4 p -62.1 -39.09 91.33 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.761 0.315 . . . . 1.21 111.071 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.8 mt -63.94 -45.81 87.53 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.216 -0.447 . . . . 0.69999999999999996 111.307 -178.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -66.31 -37.07 84.53 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.656 -0.247 . . . . 3.3799999999999999 111.427 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.3 mm -70.15 -32.83 52.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.966 0.412 . . . . 1.24 110.413 177.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 tt -73.12 -48.07 38.78 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 1.6299999999999999 110.191 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.9 mt -96.97 22.78 7.94 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.381 -0.372 . . . . 2.1699999999999999 111.319 -177.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.9 tp-100 -51.79 94.34 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 115.641 -0.709 . . . . 2.2999999999999998 112.358 176.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 71.42 42.04 57.16 Favored Glycine 0 CA--C 1.519 0.319 0 C-N-CA 121.102 -0.57 . . . . 1.4199999999999999 113.355 175.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 37.1 p -88.75 2.47 53.4 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.056 0.391 . . . . 1.25 112.056 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.72 10.72 58.85 Favored Glycine 0 CA--C 1.518 0.239 0 C-N-CA 121.09 -0.576 . . . . 1.3500000000000001 113.036 -179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 75' ' ' ALA . 78.6 mt -110.37 165.46 11.76 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.783 -0.451 . . . . 1.28 109.783 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.422 ' HG2' ' OG ' ' A' ' 76' ' ' SER . 15.7 mmm180 -111.36 124.23 51.82 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 120.677 0.275 . . . . 4.21 110.47 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.472 ' HA ' ' O ' ' A' ' 72' ' ' THR . 44.2 p90 -102.4 148.11 25.89 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.744 -0.465 . . . . 1.3700000000000001 109.744 173.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 73.5 mt-30 -131.08 105.67 7.86 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.322 -0.621 . . . . 2.6400000000000001 109.322 178.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 8.5 tt -111.55 113.82 45.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-O 121.372 0.606 . . . . 1.28 111.058 -178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -156.95 133.85 10.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.607 -0.724 . . . . 2.29 109.92 177.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.13 -122.17 23.08 Favored Glycine 0 N--CA 1.448 -0.53 0 N-CA-C 111.087 -0.805 . . . . 1.3 111.087 -176.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 47.2 m-80 -109.93 17.25 21.32 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.942 0.401 . . . . 2.3500000000000001 109.978 175.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.6 m -111.01 124.19 51.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.882 -0.599 . . . . 0.96999999999999997 111.403 -176.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.511 ' HB ' HD23 ' A' ' 28' ' ' LEU . 40.6 t -126.32 108.58 19.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.952 -0.758 . . . . 0.68000000000000005 108.952 172.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.472 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 55.3 m -107.51 129.88 54.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.48 -0.327 . . . . 0.80000000000000004 111.069 -175.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 47.3 t -113.56 105.35 18.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.137 -0.483 . . . . 1.01 109.96 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 14.5 t -125.75 149.81 48.24 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.009 -0.542 . . . . 1.8700000000000001 110.437 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.464 ' HA ' HD22 ' A' ' 62' ' ' LEU . . . -70.66 131.37 43.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.935 0.398 . . . . 1.72 110.579 178.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.422 ' OG ' ' HG2' ' A' ' 63' ' ' ARG . 4.4 m -61.42 -40.88 96.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.421 -0.809 . . . . 2.8100000000000001 110.933 -179.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -169.32 91.98 0.25 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.952 -0.567 . . . . 4.6200000000000001 110.179 177.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -94.6 31.29 1.81 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.084 0.469 . . . . 5.9900000000000002 110.716 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -86.69 -179.49 6.59 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.91 -0.586 . . . . 7.46 110.444 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.928 ' HE3' ' HA ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER 72.83 -67.58 0.26 Allowed 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.832 0.708 . . . . 10.73 110.712 -179.796 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.04 30.31 3.47 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.408 -0.36 . . . . 11.5 111.101 178.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.849 0 CA-C-O 119.28 -0.733 . . . . 12.029999999999999 111.315 179.766 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.0 m . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 110.199 -0.296 . . . . 3.75 110.199 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -69.9 130.69 42.91 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.388 -0.369 . . . . 3.3399999999999999 110.405 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -108.86 153.41 23.56 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.685 -0.689 . . . . 1.99 110.149 -177.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.409 ' O ' ' HA ' ' A' ' 46' ' ' ARG . 23.3 m-90 -127.73 150.62 49.71 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.06 -0.518 . . . . 1.1699999999999999 110.276 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.6 m -96.35 97.9 9.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.81 -0.811 . . . . 1.1299999999999999 108.81 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.1 mt -97.06 122.31 39.92 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.42 -0.809 . . . . 0.75 110.358 -172.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -91.84 101.69 14.27 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.268 -0.642 . . . . 2.1200000000000001 109.268 172.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.635 ' H ' ' HB3' ' A' ' 44' ' ' LYS . 40.5 mm -109.75 125.69 30.7 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.142 -0.481 . . . . 0.91000000000000003 111.075 -175.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.694 ' HD2' ' HA ' ' A' ' 16' ' ' ALA . 19.9 Cg_exo -68.3 165.59 28.24 Favored 'Trans proline' 0 CA--C 1.531 0.375 0 C-N-CA 123.773 2.982 . . . . 0.34999999999999998 112.884 178.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 42' ' ' ALA . . . -117.99 22.47 12.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.42999999999999999 111.373 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 9.7 pm0 -102.87 -157.42 0.61 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.021 -0.536 . . . . 1.6100000000000001 109.776 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 m -52.26 139.45 23.97 Favored 'General case' 0 C--O 1.239 0.547 0 CA-C-O 121.194 0.521 . . . . 1.3 111.299 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.424 ' HB2' HD12 ' A' ' 35' ' ' ILE . 19.0 mmt -46.72 -31.63 3.07 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 114.941 -1.027 . . . . 1.29 112.269 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 35.0 m-20 -49.71 -43.12 47.33 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.354 0.409 . . . . 2.2599999999999998 110.699 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -78.27 -47.75 17.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.299 -0.41 . . . . 1.2 110.316 -179.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.694 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . . . -64.1 -43.47 95.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.152 -0.476 . . . . 0.38 111.793 -174.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -67.05 -48.56 67.94 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.09 -0.504 . . . . 0.92000000000000004 110.577 -177.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -61.99 -32.75 73.24 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.878 0.371 . . . . 2.1899999999999999 110.82 177.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.498 ' O ' ' HB2' ' A' ' 23' ' ' GLN . . . -66.88 -43.71 82.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.31 110.799 177.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 tp -68.2 -37.45 80.91 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.997 0.427 . . . . 1.03 110.284 -178.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.28 -63.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.269 -0.878 . . . . 0.44 110.682 -178.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -64.81 -21.3 66.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.309 -0.405 . . . . 3.4100000000000001 112.044 -179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.498 ' HB2' ' O ' ' A' ' 19' ' ' ALA . 0.6 OUTLIER -65.79 -31.81 72.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.9 0.381 . . . . 1.52 110.628 177.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.8 p -118.05 10.3 13.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.154 -0.476 . . . . 0.76000000000000001 110.975 179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.9 t70 53.06 41.97 32.19 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 115.223 -0.898 . . . . 2.1099999999999999 110.766 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 p -105.05 -177.72 3.45 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.788 -0.642 . . . . 0.76000000000000001 111.219 -178.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -125.03 130.02 51.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.871 -0.604 . . . . 2.3900000000000001 109.727 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.564 HD22 ' HB ' ' A' ' 71' ' ' VAL . 41.3 mt -117.47 127.98 54.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.872 0.368 . . . . 1.51 110.18 -179.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -109.5 112.8 25.12 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.786 -0.82 . . . . 2.0299999999999998 108.786 179.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -153.07 152.17 31.04 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.233 -0.439 . . . . 0.95999999999999996 110.23 -176.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.1 m -106.06 113.49 63.54 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 109.562 -0.533 . . . . 1.78 109.562 177.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.99 -34.12 75.64 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 123.463 2.775 . . . . 1.3700000000000001 113.418 -176.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -75.55 -26.43 57.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.059 0.457 . . . . 2.96 111.115 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -92.8 -12.48 31.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.061 -0.518 . . . . 2.2200000000000002 110.848 -172.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.554 ' O ' ' HG ' ' A' ' 38' ' ' LEU . 19.8 pt -95.66 5.92 8.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 1.0900000000000001 109.705 177.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 60.43 16.47 43.56 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.324 -0.853 . . . . 1.3999999999999999 114.095 173.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.69 42.75 78.72 Favored Glycine 0 CA--C 1.518 0.245 0 C-N-CA 120.911 -0.662 . . . . 1.05 111.986 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 35' ' ' ILE . 92.6 mt -76.83 149.43 36.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 110.424 -0.213 . . . . 1.72 110.424 -176.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.685 ' H ' ' HD2' ' A' ' 39' ' ' ARG . 0.3 OUTLIER -84.49 144.47 28.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.994 0.426 . . . . 3.77 109.89 175.84 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.5 p -85.27 156.1 21.09 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 115.669 -0.696 . . . . 0.56000000000000005 110.593 178.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.8 t -86.65 125.85 34.13 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.232 -1.025 . . . . 1.54 108.232 174.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.498 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . . . -56.85 96.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.71 0.631 . . . . 0.83999999999999997 111.255 -176.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.4 tp -117.6 81.81 1.72 Allowed 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.858 -0.793 . . . . 1.4199999999999999 108.858 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.635 ' HB3' ' H ' ' A' ' 8' ' ' ILE . 25.0 pttm -119.51 120.12 35.84 Favored 'General case' 0 N--CA 1.439 -0.995 0 CA-C-O 121.424 0.63 . . . . 2.4300000000000002 109.831 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 173.38 -162.31 33.4 Favored Glycine 0 N--CA 1.443 -0.842 0 CA-C-N 115.076 -0.965 . . . . 0.37 111.411 -174.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.409 ' HA ' ' O ' ' A' ' 4' ' ' TRP . 54.8 ttt180 -97.03 106.1 18.38 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.975 -0.38 . . . . 3.27 109.975 -177.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -141.08 160.78 39.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.372 -0.377 . . . . 1.98 110.507 -175.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -86.83 166.41 15.22 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.544 -0.539 . . . . 1.8600000000000001 109.544 172.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 59.4 tp -57.88 -55.2 38.03 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 123.302 0.376 . . . . 1.1799999999999999 111.765 -173.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.465 ' HA ' ' OE1' ' A' ' 50' ' ' GLN . 14.0 mm-40 -60.16 -45.91 91.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 2.3900000000000001 111.569 -175.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 25.0 t -60.47 -41.97 95.28 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.442 -0.344 . . . . 1.3300000000000001 110.549 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 m -62.07 -48.23 81.12 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.284 -0.417 . . . . 1.21 110.909 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.6 -45.96 87.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.154 0.502 . . . . 0.69999999999999996 110.665 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.468 ' O ' ' HB2' ' A' ' 58' ' ' GLN . 25.2 ttt180 -61.98 -48.51 80.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.387 -0.824 . . . . 3.3799999999999999 111.353 -177.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.0 mt -72.34 -35.58 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 111.969 0.359 . . . . 1.24 111.969 -176.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.0 tt -66.89 -47.17 72.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.744 0.307 . . . . 1.6299999999999999 110.802 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.693 ' HG ' ' HB3' ' A' ' 64' ' ' TYR . 3.9 mm? -79.07 -24.19 43.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.59 0.233 . . . . 2.1699999999999999 111.149 -179.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.468 ' HB2' ' O ' ' A' ' 54' ' ' ARG . 8.7 tt0 -52.42 109.4 0.39 Allowed 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.224 -0.444 . . . . 2.2999999999999998 111.243 175.072 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.29 63.41 1.19 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.619 -0.8 . . . . 1.4199999999999999 112.132 178.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.6 p -144.57 -36.25 0.32 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.012 0.434 . . . . 1.25 110.993 -176.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.25 7.79 51.43 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 111.218 -0.753 . . . . 1.3500000000000001 111.218 -172.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 40.7 mt -117.43 160.68 20.78 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.726 0.298 . . . . 1.28 110.361 -177.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.433 ' HG3' ' OG ' ' A' ' 76' ' ' SER . 99.8 mtt180 -114.37 126.69 55.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.331 -0.395 . . . . 4.21 109.963 178.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.693 ' HB3' ' HG ' ' A' ' 57' ' ' LEU . 40.3 p90 -100.54 145.57 28.16 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.246 -0.434 . . . . 1.3700000000000001 110.727 -178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -133.3 126.95 32.55 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.766 -0.652 . . . . 2.6400000000000001 109.757 178.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.2 tt -103.01 123.43 56.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.442 0.639 . . . . 1.28 111.076 178.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -127.56 91.55 3.32 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.504 -0.771 . . . . 2.29 110.115 179.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.45 -99.55 0.4 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.26 -0.495 . . . . 1.3 112.524 -178.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -118.22 9.46 12.58 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.343 0.592 . . . . 2.3500000000000001 109.935 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.9 m -111.91 138.24 48.8 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.559 -0.746 . . . . 0.96999999999999997 109.672 177.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.564 ' HB ' HD22 ' A' ' 28' ' ' LEU . 22.9 t -126.02 135.36 64.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.583 -0.525 . . . . 0.68000000000000005 109.583 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.0 m -112.13 130.88 55.75 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.654 -0.248 . . . . 0.80000000000000004 110.54 -177.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 55.4 t -117.75 110.82 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.445 -0.343 . . . . 1.01 110.243 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 13.0 t -129.7 151.94 49.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.966 -0.561 . . . . 1.8700000000000001 110.151 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -72.4 141.04 48.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 1.72 111.125 -178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.433 ' OG ' ' HG3' ' A' ' 63' ' ' ARG . 15.5 m -68.49 96.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.032 -0.531 . . . . 2.8100000000000001 110.581 177.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -135.83 33.56 2.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.125 -0.488 . . . . 4.6200000000000001 110.562 179.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -140.72 85.01 1.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.988 -0.551 . . . . 5.9900000000000002 110.408 -178.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -114.09 23.27 13.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.122 -0.49 . . . . 7.46 110.896 -177.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.3 mmtm -100.75 -74.88 0.6 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.867 0.365 . . . . 10.73 110.292 177.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.56 68.49 4.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.526 0.679 . . . . 11.5 109.759 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.096 -1.391 . . . . 12.029999999999999 111.057 179.528 . . . . . . . . 0 0 . 1 stop_ save_